8-methylquinoline-3-carboxylic acid

C11H9NO2 — CID 17039621

IUPAC8-methylquinoline-3-carboxylic acid
SMILESCc1cccc2cc(C(=O)O)cnc12
InChIInChI=1S/C11H9NO2/c1-7-3-2-4-8-5-9(11(13)14)6-12-10(7)8/h2-6H,1H3,(H,13,14)
InChIKeyIKQVXJGBIGBKNW-UHFFFAOYSA-N
MW187.20 g/mol
LogP2.24
Rot. Bonds1

About 8-methylquinoline-3-carboxylic acid

8-methylquinoline-3-carboxylic acid (PubChem CID 17039621) has the molecular formula C11H9NO2 and a molecular weight of 187.20 g/mol. Its IUPAC name is 8-methylquinoline-3-carboxylic acid.

Molecular Properties

Compound Name8-methylquinoline-3-carboxylic acid
PubChem CID17039621
Molecular FormulaC11H9NO2
Molecular Weight187.20 g/mol
Exact Mass187.06
IUPAC Name8-methylquinoline-3-carboxylic acid
SMILESCc1cccc2cc(C(=O)O)cnc12
InChIInChI=1S/C11H9NO2/c1-7-3-2-4-8-5-9(11(13)14)6-12-10(7)8/h2-6H,1H3,(H,13,14)
InChIKeyIKQVXJGBIGBKNW-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 8-methylquinoline-3-carboxylic acid?
The IUPAC name of 8-methylquinoline-3-carboxylic acid (CID 17039621) is 8-methylquinoline-3-carboxylic acid.
What is the SMILES notation for 8-methylquinoline-3-carboxylic acid?
The canonical SMILES for 8-methylquinoline-3-carboxylic acid is Cc1cccc2cc(C(=O)O)cnc12.
What is the InChIKey of 8-methylquinoline-3-carboxylic acid?
The InChIKey is IKQVXJGBIGBKNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO2/c1-7-3-2-4-8-5-9(11(13)14)6-12-10(7)8/h2-6H,1H3,(H,13,14).
What are the key properties of 8-methylquinoline-3-carboxylic acid?
8-methylquinoline-3-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 8-methylquinoline-3-carboxylic acid is sourced from PubChem (CID 17039621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).