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2-[2-(Methylamino)benzoyl]-3,4-dihydro-β-carboline-1(2H)-one

2-[2-(Methylamino)benzoyl]-3,4-dihydro-β-carboline-1(2H)-one structure

CAS No:
526-43-2
Formula:
C19H17N3O2
Chemical Name:
2-[2-(Methylamino)benzoyl]-3,4-dihydro-β-carboline-1(2H)-one
Synonyms:
hydroxyevodiamine;N2-(2-methylaminobenzoyl)tetrahydro-1H-pyrido(3,4-b)indol-1-one;rhetsinine;CHEMBL508030;1H-Pyrido(3,4-b)indol-1-one, 2,3,4,9-tetrahydro-2-(2-(methyamino)benzoyl)-;NSC258315;NSC 258315;Spectrum_001552;SpecPlus_000722

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2-[2-(Methylamino)benzoyl]-3,4-dihydro-β-carboline-1(2H)-one Basic Attributes

Molecular Weight：

319.35700

Exact Mass：

319.13200

NSC Number：

258315

DSSTox ID：

DTXSID30200576

HScode：

2933990090

Characteristics

PSA：

65.20000

XLogP3：

3.05920

Density：

1.372g/cm3

Boiling Point：

609.5ºC at 760 mmHg

Flash Point：

322.4ºC

Refractive Index：

1.737

Collision Cross Section：

166.5 Å² [M+H-H2O]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]

Drug Information

MeSH Entry Terms：

hydroxyevodiamine

Computed Properties

Molecular Weight:319.4
XLogP3:3.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:319.132076794
Monoisotopic Mass:319.132076794
Topological Polar Surface Area:65.2
Heavy Atom Count:24
Complexity:509
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-[2-(Methylamino)benzoyl]-3,4-dihydro-β-carboline-1(2H)-one

Basic Attributes
Characteristics
Drug Information
Computed Properties

2-[2-(Methylamino)benzoyl]-3,4-dihydro-β-carboline-1(2H)-one

SDS

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