(3S)-3-methyl-5-(2-quinolin-3-ylacetyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one

C21H19N3O2 — CID 124623018

IUPAC(3S)-3-methyl-5-(2-quinolin-3-ylacetyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one
SMILESC[C@H]1CN(C(=O)Cc2cnc3ccccc3c2)c2ccccc2NC1=O
InChIInChI=1S/C21H19N3O2/c1-14-13-24(19-9-5-4-8-18(19)23-21(14)26)20(25)11-15-10-16-6-2-3-7-17(16)22-12-15/h2-10,12,14H,11,13H2,1H3,(H,23,26)/t14-/m0/s1
InChIKeyQDPROSJPSKEVJU-AWEZNQCLSA-N
MW345.40 g/mol
LogP3.40
Rot. Bonds2

About (3S)-3-methyl-5-(2-quinolin-3-ylacetyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one

(3S)-3-methyl-5-(2-quinolin-3-ylacetyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one (PubChem CID 124623018) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is (3S)-3-methyl-5-(2-quinolin-3-ylacetyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one.

Molecular Properties

Compound Name(3S)-3-methyl-5-(2-quinolin-3-ylacetyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one
PubChem CID124623018
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC Name(3S)-3-methyl-5-(2-quinolin-3-ylacetyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one
SMILESC[C@H]1CN(C(=O)Cc2cnc3ccccc3c2)c2ccccc2NC1=O
InChIInChI=1S/C21H19N3O2/c1-14-13-24(19-9-5-4-8-18(19)23-21(14)26)20(25)11-15-10-16-6-2-3-7-17(16)22-12-15/h2-10,12,14H,11,13H2,1H3,(H,23,26)/t14-/m0/s1
InChIKeyQDPROSJPSKEVJU-AWEZNQCLSA-N
XLogP3.40
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S)-3-methyl-5-(2-quinolin-3-ylacetyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one with MolForge

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Related Compounds

(3R)-5-[2-(3,4-dimethoxyphenyl)acetyl]-3-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 124587721
5-(3,5-difluoropyridine-2-carbonyl)-3-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 126811862
(3S)-3-amino-5-(2-pyridin-3-ylacetyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 122531444
5-[2-(2,4-dichlorophenoxy)acetyl]-3-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 20898925
(3S)-3-amino-5-(2-pyridin-3-ylacetyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one;hydrochloride
CID 122531443
2-(3-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)acetic acid
CID 119994276
4-(2-naphthalen-2-ylacetyl)-1,3-dihydroquinoxalin-2-one
CID 16864035
1-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-quinolin-3-ylethanone
CID 129484445
1-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-quinolin-3-ylethanone
CID 129484446
tert-butyl N-[(3S)-2-oxo-5-(2-pyridin-3-ylacetyl)-3,4-dihydro-1H-1,5-benzodiazepin-3-yl]carbamate
CID 118076962
1-[(3S)-3-(benzimidazol-1-ylmethyl)piperidin-1-yl]-2-quinolin-3-ylethanone
CID 99797712
2-quinolin-3-yl-1-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]ethanone
CID 155949674

Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-5-(2-quinolin-3-ylacetyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one?
The IUPAC name of (3S)-3-methyl-5-(2-quinolin-3-ylacetyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one (CID 124623018) is (3S)-3-methyl-5-(2-quinolin-3-ylacetyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one.
What is the SMILES notation for (3S)-3-methyl-5-(2-quinolin-3-ylacetyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one?
The canonical SMILES for (3S)-3-methyl-5-(2-quinolin-3-ylacetyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one is C[C@H]1CN(C(=O)Cc2cnc3ccccc3c2)c2ccccc2NC1=O.
What is the InChIKey of (3S)-3-methyl-5-(2-quinolin-3-ylacetyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one?
The InChIKey is QDPROSJPSKEVJU-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H19N3O2/c1-14-13-24(19-9-5-4-8-18(19)23-21(14)26)20(25)11-15-10-16-6-2-3-7-17(16)22-12-15/h2-10,12,14H,11,13H2,1H3,(H,23,26)/t14-/m0/s1.
What are the key properties of (3S)-3-methyl-5-(2-quinolin-3-ylacetyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one?
(3S)-3-methyl-5-(2-quinolin-3-ylacetyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one has a molecular weight of 345.40 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-5-(2-quinolin-3-ylacetyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one is sourced from PubChem (CID 124623018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).