6-oxobenzo[c][1]benzazepine-11-carboxylic acid

C15H9NO3 — CID 154239718

IUPAC6-oxobenzo[c][1]benzazepine-11-carboxylic acid
SMILESO=C(O)c1c2ccccc2nc(=O)c2ccccc12
InChIInChI=1S/C15H9NO3/c17-14-10-6-2-1-5-9(10)13(15(18)19)11-7-3-4-8-12(11)16-14/h1-8H,(H,18,19)
InChIKeyXUNAUEUGDRLPQP-UHFFFAOYSA-N
MW251.24 g/mol
LogP2.45
Rot. Bonds1

About 6-oxobenzo[c][1]benzazepine-11-carboxylic acid

6-oxobenzo[c][1]benzazepine-11-carboxylic acid (PubChem CID 154239718) has the molecular formula C15H9NO3 and a molecular weight of 251.24 g/mol. Its IUPAC name is 6-oxobenzo[c][1]benzazepine-11-carboxylic acid.

Molecular Properties

Compound Name6-oxobenzo[c][1]benzazepine-11-carboxylic acid
PubChem CID154239718
Molecular FormulaC15H9NO3
Molecular Weight251.24 g/mol
Exact Mass251.06
IUPAC Name6-oxobenzo[c][1]benzazepine-11-carboxylic acid
SMILESO=C(O)c1c2ccccc2nc(=O)c2ccccc12
InChIInChI=1S/C15H9NO3/c17-14-10-6-2-1-5-9(10)13(15(18)19)11-7-3-4-8-12(11)16-14/h1-8H,(H,18,19)
InChIKeyXUNAUEUGDRLPQP-UHFFFAOYSA-N
XLogP2.45
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-oxobenzo[c][1]benzazepine-11-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzo[b]phenazine-6,11-dicarboxylic acid
CID 154692279
2-phenylquinoline-3,4-dicarboxylic acid
CID 71341092
benzo[a]acridine-12-carboxylic acid
CID 54569893
3-bromo-2-chloroquinoline-4-carboxylic acid
CID 97180491
3-chloroquinoline-4-carboxylic acid
CID 22158738
3-methyl-2-phenylquinoline-4-carboxylic acid;hydrochloride
CID 140991456
3-(4-hydroxyphenyl)quinoline-2,4-dicarboxylic acid
CID 704860
diphenylmethanone;naphthalene-1,2,3,4-tetracarboxylic acid
CID 70582995
2,4-difluoroquinoline-3-carboxylic acid;hydrochloride
CID 141031168
3-bromoquinoline-4-carboxylic acid
CID 119083564
1,2,3,4-tetrahydroacridine-9-carboxylic acid;hydrate
CID 16667447
6,11-dihydrobenzo[b]acridine-12-carboxylic acid
CID 4565367

Frequently Asked Questions

What is the IUPAC name of 6-oxobenzo[c][1]benzazepine-11-carboxylic acid?
The IUPAC name of 6-oxobenzo[c][1]benzazepine-11-carboxylic acid (CID 154239718) is 6-oxobenzo[c][1]benzazepine-11-carboxylic acid.
What is the SMILES notation for 6-oxobenzo[c][1]benzazepine-11-carboxylic acid?
The canonical SMILES for 6-oxobenzo[c][1]benzazepine-11-carboxylic acid is O=C(O)c1c2ccccc2nc(=O)c2ccccc12.
What is the InChIKey of 6-oxobenzo[c][1]benzazepine-11-carboxylic acid?
The InChIKey is XUNAUEUGDRLPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9NO3/c17-14-10-6-2-1-5-9(10)13(15(18)19)11-7-3-4-8-12(11)16-14/h1-8H,(H,18,19).
What are the key properties of 6-oxobenzo[c][1]benzazepine-11-carboxylic acid?
6-oxobenzo[c][1]benzazepine-11-carboxylic acid has a molecular weight of 251.24 g/mol, XLogP of 2.45, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxobenzo[c][1]benzazepine-11-carboxylic acid is sourced from PubChem (CID 154239718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).