6-oxo-1,5-dihydrobenzo[c][1]benzazepine-11-carboxylic acid

C15H11NO3 — CID 70384843

IUPAC6-oxo-1,5-dihydrobenzo[c][1]benzazepine-11-carboxylic acid
SMILESO=C(O)C1=C2CC=CC=C2NC(=O)c2ccccc21
InChIInChI=1S/C15H11NO3/c17-14-10-6-2-1-5-9(10)13(15(18)19)11-7-3-4-8-12(11)16-14/h1-6,8H,7H2,(H,16,17)(H,18,19)
InChIKeyFHRTURYWOOBRAT-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.11
Rot. Bonds1

About 6-oxo-1,5-dihydrobenzo[c][1]benzazepine-11-carboxylic acid

6-oxo-1,5-dihydrobenzo[c][1]benzazepine-11-carboxylic acid (PubChem CID 70384843) has the molecular formula C15H11NO3 and a molecular weight of 253.26 g/mol. Its IUPAC name is 6-oxo-1,5-dihydrobenzo[c][1]benzazepine-11-carboxylic acid.

Molecular Properties

Compound Name6-oxo-1,5-dihydrobenzo[c][1]benzazepine-11-carboxylic acid
PubChem CID70384843
Molecular FormulaC15H11NO3
Molecular Weight253.26 g/mol
Exact Mass253.07
IUPAC Name6-oxo-1,5-dihydrobenzo[c][1]benzazepine-11-carboxylic acid
SMILESO=C(O)C1=C2CC=CC=C2NC(=O)c2ccccc21
InChIInChI=1S/C15H11NO3/c17-14-10-6-2-1-5-9(10)13(15(18)19)11-7-3-4-8-12(11)16-14/h1-6,8H,7H2,(H,16,17)(H,18,19)
InChIKeyFHRTURYWOOBRAT-UHFFFAOYSA-N
XLogP2.11
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-Oxo-1,2-dihydroisoquinoline-4-carboxylic acid
CID 643161
2-(2-Carbamoylphenyl)acetic acid
CID 819927
2-(Tert-butylcarbamoyl)benzoic acid
CID 730584
2-Methyl-1-oxo-1,2-dihydroisoquinoline-4-carboxylic acid
CID 12220340
Benzeneacetic acid, 2-[(phenylamino)carbonyl]-
CID 11470832
1-Oxo-1,2-dihydroisoquinoline-5-carboxylic acid
CID 40152038
2-(1-Oxo-1,2-dihydroisoquinolin-3-yl)acetic acid
CID 58553990
2-Isopropyl-1-oxo-1,2-dihydroisoquinoline-4-carboxylic acid
CID 71691565
ethyl 6-fluoro-3-methyl-1-oxo-2H-isoquinoline-4-carboxylate
CID 138973430
1,2-Dihydro-3-methyl-1-oxo-4-isoquinolinecarboxylic acid ethyl ester
CID 12677994
tert-butyl 3-methyl-1-oxo-2H-isoquinoline-4-carboxylate
CID 101478644
ethyl 1-oxo-3-propyl-2H-isoquinoline-4-carboxylate
CID 101478649

Frequently Asked Questions

What is the IUPAC name of 6-oxo-1,5-dihydrobenzo[c][1]benzazepine-11-carboxylic acid?
The IUPAC name of 6-oxo-1,5-dihydrobenzo[c][1]benzazepine-11-carboxylic acid (CID 70384843) is 6-oxo-1,5-dihydrobenzo[c][1]benzazepine-11-carboxylic acid.
What is the SMILES notation for 6-oxo-1,5-dihydrobenzo[c][1]benzazepine-11-carboxylic acid?
The canonical SMILES for 6-oxo-1,5-dihydrobenzo[c][1]benzazepine-11-carboxylic acid is O=C(O)C1=C2CC=CC=C2NC(=O)c2ccccc21.
What is the InChIKey of 6-oxo-1,5-dihydrobenzo[c][1]benzazepine-11-carboxylic acid?
The InChIKey is FHRTURYWOOBRAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO3/c17-14-10-6-2-1-5-9(10)13(15(18)19)11-7-3-4-8-12(11)16-14/h1-6,8H,7H2,(H,16,17)(H,18,19).
What are the key properties of 6-oxo-1,5-dihydrobenzo[c][1]benzazepine-11-carboxylic acid?
6-oxo-1,5-dihydrobenzo[c][1]benzazepine-11-carboxylic acid has a molecular weight of 253.26 g/mol, XLogP of 2.11, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-1,5-dihydrobenzo[c][1]benzazepine-11-carboxylic acid is sourced from PubChem (CID 70384843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).