3-methylquinoline-4-carboxylic acid

C11H9NO2 — CID 604440

IUPAC3-methylquinoline-4-carboxylic acid
SMILESCc1cnc2ccccc2c1C(=O)O
InChIInChI=1S/C11H9NO2/c1-7-6-12-9-5-3-2-4-8(9)10(7)11(13)14/h2-6H,1H3,(H,13,14)
InChIKeyKXCBWEJWVBHYKF-UHFFFAOYSA-N
MW187.20 g/mol
LogP2.24
Rot. Bonds1

About 3-methylquinoline-4-carboxylic acid

3-methylquinoline-4-carboxylic acid (PubChem CID 604440) has the molecular formula C11H9NO2 and a molecular weight of 187.20 g/mol. Its IUPAC name is 3-methylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name3-methylquinoline-4-carboxylic acid
PubChem CID604440
Molecular FormulaC11H9NO2
Molecular Weight187.20 g/mol
Exact Mass187.06
IUPAC Name3-methylquinoline-4-carboxylic acid
SMILESCc1cnc2ccccc2c1C(=O)O
InChIInChI=1S/C11H9NO2/c1-7-6-12-9-5-3-2-4-8(9)10(7)11(13)14/h2-6H,1H3,(H,13,14)
InChIKeyKXCBWEJWVBHYKF-UHFFFAOYSA-N
XLogP2.24
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methylquinoline-4-carboxylic acid?
The IUPAC name of 3-methylquinoline-4-carboxylic acid (CID 604440) is 3-methylquinoline-4-carboxylic acid.
What is the SMILES notation for 3-methylquinoline-4-carboxylic acid?
The canonical SMILES for 3-methylquinoline-4-carboxylic acid is Cc1cnc2ccccc2c1C(=O)O.
What is the InChIKey of 3-methylquinoline-4-carboxylic acid?
The InChIKey is KXCBWEJWVBHYKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO2/c1-7-6-12-9-5-3-2-4-8(9)10(7)11(13)14/h2-6H,1H3,(H,13,14).
What are the key properties of 3-methylquinoline-4-carboxylic acid?
3-methylquinoline-4-carboxylic acid has a molecular weight of 187.20 g/mol, XLogP of 2.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylquinoline-4-carboxylic acid is sourced from PubChem (CID 604440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).