7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylic acid

C15H15NO2 — CID 617724

IUPAC7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylic acid
SMILESO=C(O)c1c2c(nc3ccccc13)CCCCC2
InChIInChI=1S/C15H15NO2/c17-15(18)14-10-6-2-1-3-8-12(10)16-13-9-5-4-7-11(13)14/h4-5,7,9H,1-3,6,8H2,(H,17,18)
InChIKeyGNZNZCXRLQTPNF-UHFFFAOYSA-N
MW241.29 g/mol
LogP3.20
Rot. Bonds1

About 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylic acid

7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylic acid (PubChem CID 617724) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylic acid.

Molecular Properties

Compound Name7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylic acid
PubChem CID617724
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylic acid
SMILESO=C(O)c1c2c(nc3ccccc13)CCCCC2
InChIInChI=1S/C15H15NO2/c17-15(18)14-10-6-2-1-3-8-12(10)16-13-9-5-4-7-11(13)14/h4-5,7,9H,1-3,6,8H2,(H,17,18)
InChIKeyGNZNZCXRLQTPNF-UHFFFAOYSA-N
XLogP3.20
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 8593
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1-Phenazinecarboxylic acid
CID 95069
Bicinchoninic acid
CID 71068
Neocinchophen
CID 68089
4-Quinolinecarboxylic acid
CID 10243
Tetrophan
CID 120171
4-Quinolinecarboxylic acid, 3-hydroxy-2-methyl-
CID 67024
2,6-Diphenylisonicotinic acid
CID 3490694
Mefloquine carboxylic acid
CID 169721

Frequently Asked Questions

What is the IUPAC name of 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylic acid?
The IUPAC name of 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylic acid (CID 617724) is 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylic acid.
What is the SMILES notation for 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylic acid?
The canonical SMILES for 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylic acid is O=C(O)c1c2c(nc3ccccc13)CCCCC2.
What is the InChIKey of 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylic acid?
The InChIKey is GNZNZCXRLQTPNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c17-15(18)14-10-6-2-1-3-8-12(10)16-13-9-5-4-7-11(13)14/h4-5,7,9H,1-3,6,8H2,(H,17,18).
What are the key properties of 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylic acid?
7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylic acid has a molecular weight of 241.29 g/mol, XLogP of 3.20, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylic acid is sourced from PubChem (CID 617724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).