4H-cyclohepta[g]quinoline-3-carboxylic acid

C15H11NO2 — CID 143321379

IUPAC4H-cyclohepta[g]quinoline-3-carboxylic acid
SMILESO=C(O)C1=CN=c2cc3c(cc2C1)=CC=CC=C3
InChIInChI=1S/C15H11NO2/c17-15(18)13-7-12-6-10-4-2-1-3-5-11(10)8-14(12)16-9-13/h1-6,8-9H,7H2,(H,17,18)
InChIKeyJDMNZHBGOCZXGX-UHFFFAOYSA-N
MW237.26 g/mol
LogP1.19
Rot. Bonds1

About 4H-cyclohepta[g]quinoline-3-carboxylic acid

4H-cyclohepta[g]quinoline-3-carboxylic acid (PubChem CID 143321379) has the molecular formula C15H11NO2 and a molecular weight of 237.26 g/mol. Its IUPAC name is 4H-cyclohepta[g]quinoline-3-carboxylic acid.

Molecular Properties

Compound Name4H-cyclohepta[g]quinoline-3-carboxylic acid
PubChem CID143321379
Molecular FormulaC15H11NO2
Molecular Weight237.26 g/mol
Exact Mass237.08
IUPAC Name4H-cyclohepta[g]quinoline-3-carboxylic acid
SMILESO=C(O)C1=CN=c2cc3c(cc2C1)=CC=CC=C3
InChIInChI=1S/C15H11NO2/c17-15(18)13-7-12-6-10-4-2-1-3-5-11(10)8-14(12)16-9-13/h1-6,8-9H,7H2,(H,17,18)
InChIKeyJDMNZHBGOCZXGX-UHFFFAOYSA-N
XLogP1.19
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Fluoro-4,8-dihydroquinoline-3-carboxylic acid
CID 150862324
6,7-Difluoro-4,8-dihydroquinoline-3-carboxylic acid
CID 151497243
Pyrroloanthrone-1-carboxylic acid
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9-(hydroxymethyl)-4H-cyclohepta[b]pyridine-3-carboxylic acid
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7H-indole-3-carboxylic acid
CID 69927599
19-Azapentacyclo[12.9.0.02,11.05,10.015,21]tricosa-1,3,5,7,10,12,14,16,18,20,22-undecaene-8-carboxylic acid
CID 87134110
6H-2-benzazepine-7-carboxylic acid
CID 87594309
Spiro[1-benzazepine-4,3'-cyclopentene]-3-carboxylic acid
CID 91111325
Cyclohepta[f]indole-3-carboxylic acid
CID 118865250
Cyclohepta[f]indole-3-carboxylic acid;hydrochloride
CID 118865263
9H-1,4-benzodiazepine-8-carboxylic acid
CID 122445491
4H-pyrido[2,3-g][2]benzazepine-3-carboxylic acid
CID 141197315

Frequently Asked Questions

What is the IUPAC name of 4H-cyclohepta[g]quinoline-3-carboxylic acid?
The IUPAC name of 4H-cyclohepta[g]quinoline-3-carboxylic acid (CID 143321379) is 4H-cyclohepta[g]quinoline-3-carboxylic acid.
What is the SMILES notation for 4H-cyclohepta[g]quinoline-3-carboxylic acid?
The canonical SMILES for 4H-cyclohepta[g]quinoline-3-carboxylic acid is O=C(O)C1=CN=c2cc3c(cc2C1)=CC=CC=C3.
What is the InChIKey of 4H-cyclohepta[g]quinoline-3-carboxylic acid?
The InChIKey is JDMNZHBGOCZXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO2/c17-15(18)13-7-12-6-10-4-2-1-3-5-11(10)8-14(12)16-9-13/h1-6,8-9H,7H2,(H,17,18).
What are the key properties of 4H-cyclohepta[g]quinoline-3-carboxylic acid?
4H-cyclohepta[g]quinoline-3-carboxylic acid has a molecular weight of 237.26 g/mol, XLogP of 1.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4H-cyclohepta[g]quinoline-3-carboxylic acid is sourced from PubChem (CID 143321379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).