2-methylquinoline-4-carboxylic acid

C11H9NO2 — CID 604442

IUPAC2-methylquinoline-4-carboxylic acid
SMILESCc1cc(C(=O)O)c2ccccc2n1
InChIInChI=1S/C11H9NO2/c1-7-6-9(11(13)14)8-4-2-3-5-10(8)12-7/h2-6H,1H3,(H,13,14)
InChIKeyUIDHNPTVQFNWOJ-UHFFFAOYSA-N
MW187.20 g/mol
LogP2.24
Rot. Bonds1

About 2-methylquinoline-4-carboxylic acid

2-methylquinoline-4-carboxylic acid (PubChem CID 604442) has the molecular formula C11H9NO2 and a molecular weight of 187.20 g/mol. Its IUPAC name is 2-methylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-methylquinoline-4-carboxylic acid
PubChem CID604442
Molecular FormulaC11H9NO2
Molecular Weight187.20 g/mol
Exact Mass187.06
IUPAC Name2-methylquinoline-4-carboxylic acid
SMILESCc1cc(C(=O)O)c2ccccc2n1
InChIInChI=1S/C11H9NO2/c1-7-6-9(11(13)14)8-4-2-3-5-10(8)12-7/h2-6H,1H3,(H,13,14)
InChIKeyUIDHNPTVQFNWOJ-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 2-methylquinoline-4-carboxylic acid?
The IUPAC name of 2-methylquinoline-4-carboxylic acid (CID 604442) is 2-methylquinoline-4-carboxylic acid.
What is the SMILES notation for 2-methylquinoline-4-carboxylic acid?
The canonical SMILES for 2-methylquinoline-4-carboxylic acid is Cc1cc(C(=O)O)c2ccccc2n1.
What is the InChIKey of 2-methylquinoline-4-carboxylic acid?
The InChIKey is UIDHNPTVQFNWOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO2/c1-7-6-9(11(13)14)8-4-2-3-5-10(8)12-7/h2-6H,1H3,(H,13,14).
What are the key properties of 2-methylquinoline-4-carboxylic acid?
2-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 2-methylquinoline-4-carboxylic acid is sourced from PubChem (CID 604442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).