2-(1,3-dimethyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carbonyl)-1H-quinolin-4-one

C21H21N3O2 — CID 122137750

IUPAC2-(1,3-dimethyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carbonyl)-1H-quinolin-4-one
SMILESCC1CN(C)c2ccccc2CN1C(=O)c1cc(=O)c2ccccc2[nH]1
InChIInChI=1S/C21H21N3O2/c1-14-12-23(2)19-10-6-3-7-15(19)13-24(14)21(26)18-11-20(25)16-8-4-5-9-17(16)22-18/h3-11,14H,12-13H2,1-2H3,(H,22,25)
InChIKeyGLPFTCWTIGTGGP-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.01
Rot. Bonds1

About 2-(1,3-dimethyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carbonyl)-1H-quinolin-4-one

2-(1,3-dimethyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carbonyl)-1H-quinolin-4-one (PubChem CID 122137750) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 2-(1,3-dimethyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carbonyl)-1H-quinolin-4-one.

Molecular Properties

Compound Name2-(1,3-dimethyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carbonyl)-1H-quinolin-4-one
PubChem CID122137750
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name2-(1,3-dimethyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carbonyl)-1H-quinolin-4-one
SMILESCC1CN(C)c2ccccc2CN1C(=O)c1cc(=O)c2ccccc2[nH]1
InChIInChI=1S/C21H21N3O2/c1-14-12-23(2)19-10-6-3-7-15(19)13-24(14)21(26)18-11-20(25)16-8-4-5-9-17(16)22-18/h3-11,14H,12-13H2,1-2H3,(H,22,25)
InChIKeyGLPFTCWTIGTGGP-UHFFFAOYSA-N
XLogP3.01
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(1,3-dimethyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carbonyl)-1H-quinolin-4-one with MolForge

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Launch Full Analysis

Related Compounds

3-[2-[(3S)-1,3-dimethyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-2-oxoethyl]-1H-quinazoline-2,4-dione
CID 96534375
(1,3-dimethyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)-(5-methylpyrazin-2-yl)methanone
CID 71860195
2-[(2S)-3-oxo-2-propan-2-ylpiperazine-1-carbonyl]-1H-quinolin-4-one
CID 95215815
2-[(1S,6R)-3-methyl-4-oxo-3,9-diazabicyclo[4.2.1]nonane-9-carbonyl]-1H-quinolin-4-one
CID 56720066
3-amino-1-[(3S)-1,3-dimethyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]propan-1-one
CID 124695776
8-methyl-2-(4-oxo-1H-quinoline-2-carbonyl)-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one
CID 50974576
2-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]-1H-quinolin-4-one
CID 95593582
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)-1H-quinolin-4-one
CID 56810081
(1,3-dimethyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)-(1-piperidin-4-yltriazol-4-yl)methanone
CID 119893301
1-(1,3-dimethyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)-2-(5-methyl-1,2-oxazol-3-yl)ethanone
CID 126785115
2-(piperidine-1-carbonyl)-1H-quinolin-4-one
CID 47120448
4-amino-1-(1,3-dimethyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)pentan-1-one
CID 120565781

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dimethyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carbonyl)-1H-quinolin-4-one?
The IUPAC name of 2-(1,3-dimethyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carbonyl)-1H-quinolin-4-one (CID 122137750) is 2-(1,3-dimethyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carbonyl)-1H-quinolin-4-one.
What is the SMILES notation for 2-(1,3-dimethyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carbonyl)-1H-quinolin-4-one?
The canonical SMILES for 2-(1,3-dimethyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carbonyl)-1H-quinolin-4-one is CC1CN(C)c2ccccc2CN1C(=O)c1cc(=O)c2ccccc2[nH]1.
What is the InChIKey of 2-(1,3-dimethyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carbonyl)-1H-quinolin-4-one?
The InChIKey is GLPFTCWTIGTGGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-14-12-23(2)19-10-6-3-7-15(19)13-24(14)21(26)18-11-20(25)16-8-4-5-9-17(16)22-18/h3-11,14H,12-13H2,1-2H3,(H,22,25).
What are the key properties of 2-(1,3-dimethyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carbonyl)-1H-quinolin-4-one?
2-(1,3-dimethyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carbonyl)-1H-quinolin-4-one has a molecular weight of 347.42 g/mol, XLogP of 3.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dimethyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carbonyl)-1H-quinolin-4-one is sourced from PubChem (CID 122137750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).