5H-cyclohepta[b]quinoline-8-carboxylic acid

C15H11NO2 — CID 172696847

IUPAC5H-cyclohepta[b]quinoline-8-carboxylic acid
SMILESO=C(O)C1=CC=C2Nc3ccccc3C=C2C=C1
InChIInChI=1S/C15H11NO2/c17-15(18)10-5-6-12-9-11-3-1-2-4-13(11)16-14(12)8-7-10/h1-9,16H,(H,17,18)
InChIKeyCKWZFMVQXLZSEE-UHFFFAOYSA-N
MW237.26 g/mol
LogP2.96
Rot. Bonds1

About 5H-cyclohepta[b]quinoline-8-carboxylic acid

5H-cyclohepta[b]quinoline-8-carboxylic acid (PubChem CID 172696847) has the molecular formula C15H11NO2 and a molecular weight of 237.26 g/mol. Its IUPAC name is 5H-cyclohepta[b]quinoline-8-carboxylic acid.

Molecular Properties

Compound Name5H-cyclohepta[b]quinoline-8-carboxylic acid
PubChem CID172696847
Molecular FormulaC15H11NO2
Molecular Weight237.26 g/mol
Exact Mass237.08
IUPAC Name5H-cyclohepta[b]quinoline-8-carboxylic acid
SMILESO=C(O)C1=CC=C2Nc3ccccc3C=C2C=C1
InChIInChI=1S/C15H11NO2/c17-15(18)10-5-6-12-9-11-3-1-2-4-13(11)16-14(12)8-7-10/h1-9,16H,(H,17,18)
InChIKeyCKWZFMVQXLZSEE-UHFFFAOYSA-N
XLogP2.96
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5H-cyclohepta[b]quinoline-8-carboxylic acid?
The IUPAC name of 5H-cyclohepta[b]quinoline-8-carboxylic acid (CID 172696847) is 5H-cyclohepta[b]quinoline-8-carboxylic acid.
What is the SMILES notation for 5H-cyclohepta[b]quinoline-8-carboxylic acid?
The canonical SMILES for 5H-cyclohepta[b]quinoline-8-carboxylic acid is O=C(O)C1=CC=C2Nc3ccccc3C=C2C=C1.
What is the InChIKey of 5H-cyclohepta[b]quinoline-8-carboxylic acid?
The InChIKey is CKWZFMVQXLZSEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO2/c17-15(18)10-5-6-12-9-11-3-1-2-4-13(11)16-14(12)8-7-10/h1-9,16H,(H,17,18).
What are the key properties of 5H-cyclohepta[b]quinoline-8-carboxylic acid?
5H-cyclohepta[b]quinoline-8-carboxylic acid has a molecular weight of 237.26 g/mol, XLogP of 2.96, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5H-cyclohepta[b]quinoline-8-carboxylic acid is sourced from PubChem (CID 172696847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).