1H-azepine-4-carboxamide;5-oxo-6H-benzo[b][1]benzazepine-11-carboxamide

C22H20N4O3 — CID 158215150

IUPAC1H-azepine-4-carboxamide;5-oxo-6H-benzo[b][1]benzazepine-11-carboxamide
SMILESNC(=O)C1=CC=CNC=C1.NC(=O)N1c2ccccc2CC(=O)c2ccccc21
InChIInChI=1S/C15H12N2O2.C7H8N2O/c16-15(19)17-12-7-3-1-5-10(12)9-14(18)11-6-2-4-8-13(11)17;8-7(10)6-2-1-4-9-5-3-6/h1-8H,9H2,(H2,16,19);1-5,9H,(H2,8,10)
InChIKeyGCOFJKCZHSUXML-UHFFFAOYSA-N
MW388.43 g/mol
LogP2.67
Rot. Bonds1

About 1H-azepine-4-carboxamide;5-oxo-6H-benzo[b][1]benzazepine-11-carboxamide

1H-azepine-4-carboxamide;5-oxo-6H-benzo[b][1]benzazepine-11-carboxamide (PubChem CID 158215150) has the molecular formula C22H20N4O3 and a molecular weight of 388.43 g/mol. Its IUPAC name is 1H-azepine-4-carboxamide;5-oxo-6H-benzo[b][1]benzazepine-11-carboxamide.

Molecular Properties

Compound Name1H-azepine-4-carboxamide;5-oxo-6H-benzo[b][1]benzazepine-11-carboxamide
PubChem CID158215150
Molecular FormulaC22H20N4O3
Molecular Weight388.43 g/mol
Exact Mass388.15
IUPAC Name1H-azepine-4-carboxamide;5-oxo-6H-benzo[b][1]benzazepine-11-carboxamide
SMILESNC(=O)C1=CC=CNC=C1.NC(=O)N1c2ccccc2CC(=O)c2ccccc21
InChIInChI=1S/C15H12N2O2.C7H8N2O/c16-15(19)17-12-7-3-1-5-10(12)9-14(18)11-6-2-4-8-13(11)17;8-7(10)6-2-1-4-9-5-3-6/h1-8H,9H2,(H2,16,19);1-5,9H,(H2,8,10)
InChIKeyGCOFJKCZHSUXML-UHFFFAOYSA-N
XLogP2.67
TPSA118.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;5-oxo-6H-benzo[b][1]benzazepine-11-carboxamide
CID 143893495
11-[amino(hydroxy)methyl]-6H-benzo[b][1]benzazepin-5-one
CID 129202957
2-[(Z)-(11-carbamoyl-6H-benzo[b][1]benzazepin-5-ylidene)amino]oxyacetic acid
CID 89300256
[(11-carbamoyl-6H-benzo[b][1]benzazepin-5-ylidene)amino] benzoate
CID 57037687
N-carbamoyl-1,2,3,4-tetradeuterio-6-oxo-5H-benzo[b][1]benzazepine-11-carboxamide
CID 162641100
tricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaene-2,11-dione
CID 163817575
5-(trifluoromethyl)-5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide
CID 14306227
(6R)-6-bromo-5-oxo-6H-benzo[b][1]benzazepine-11-carboxamide
CID 95162157
(3S)-3-N-methylsulfonyl-4-(5-oxo-6H-benzo[b][1]benzazepine-11-carbonyl)-1-N,1-N-diphenylpiperazine-1,3-dicarboxamide
CID 166897251
9H-acridine-10-carbonyl chloride
CID 165358723
4-oxo-2,3-dihydroquinazoline-1-carboxamide
CID 23023743
(2S)-1-(5-oxo-6H-benzo[b][1]benzazepine-11-carbonyl)-4-(3-phenylprop-2-ynoyl)piperazine-2-carboxylic acid
CID 139448767

Frequently Asked Questions

What is the IUPAC name of 1H-azepine-4-carboxamide;5-oxo-6H-benzo[b][1]benzazepine-11-carboxamide?
The IUPAC name of 1H-azepine-4-carboxamide;5-oxo-6H-benzo[b][1]benzazepine-11-carboxamide (CID 158215150) is 1H-azepine-4-carboxamide;5-oxo-6H-benzo[b][1]benzazepine-11-carboxamide.
What is the SMILES notation for 1H-azepine-4-carboxamide;5-oxo-6H-benzo[b][1]benzazepine-11-carboxamide?
The canonical SMILES for 1H-azepine-4-carboxamide;5-oxo-6H-benzo[b][1]benzazepine-11-carboxamide is NC(=O)C1=CC=CNC=C1.NC(=O)N1c2ccccc2CC(=O)c2ccccc21.
What is the InChIKey of 1H-azepine-4-carboxamide;5-oxo-6H-benzo[b][1]benzazepine-11-carboxamide?
The InChIKey is GCOFJKCZHSUXML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2.C7H8N2O/c16-15(19)17-12-7-3-1-5-10(12)9-14(18)11-6-2-4-8-13(11)17;8-7(10)6-2-1-4-9-5-3-6/h1-8H,9H2,(H2,16,19);1-5,9H,(H2,8,10).
What are the key properties of 1H-azepine-4-carboxamide;5-oxo-6H-benzo[b][1]benzazepine-11-carboxamide?
1H-azepine-4-carboxamide;5-oxo-6H-benzo[b][1]benzazepine-11-carboxamide has a molecular weight of 388.43 g/mol, XLogP of 2.67, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-azepine-4-carboxamide;5-oxo-6H-benzo[b][1]benzazepine-11-carboxamide is sourced from PubChem (CID 158215150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).