3-methyl-2-phenylquinoline-4-carboxylic acid

C17H13NO2 — CID 673710

IUPAC3-methyl-2-phenylquinoline-4-carboxylic acid
SMILESCc1c(-c2ccccc2)nc2ccccc2c1C(=O)O
InChIInChI=1S/C17H13NO2/c1-11-15(17(19)20)13-9-5-6-10-14(13)18-16(11)12-7-3-2-4-8-12/h2-10H,1H3,(H,19,20)
InChIKeyZSVACLAZDFXWQG-UHFFFAOYSA-N
MW263.30 g/mol
LogP3.91
Rot. Bonds2

About 3-methyl-2-phenylquinoline-4-carboxylic acid

3-methyl-2-phenylquinoline-4-carboxylic acid (PubChem CID 673710) has the molecular formula C17H13NO2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 3-methyl-2-phenylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name3-methyl-2-phenylquinoline-4-carboxylic acid
PubChem CID673710
Molecular FormulaC17H13NO2
Molecular Weight263.30 g/mol
Exact Mass263.09
IUPAC Name3-methyl-2-phenylquinoline-4-carboxylic acid
SMILESCc1c(-c2ccccc2)nc2ccccc2c1C(=O)O
InChIInChI=1S/C17H13NO2/c1-11-15(17(19)20)13-9-5-6-10-14(13)18-16(11)12-7-3-2-4-8-12/h2-10H,1H3,(H,19,20)
InChIKeyZSVACLAZDFXWQG-UHFFFAOYSA-N
XLogP3.91
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-phenylquinoline-4-carboxylic acid?
The IUPAC name of 3-methyl-2-phenylquinoline-4-carboxylic acid (CID 673710) is 3-methyl-2-phenylquinoline-4-carboxylic acid.
What is the SMILES notation for 3-methyl-2-phenylquinoline-4-carboxylic acid?
The canonical SMILES for 3-methyl-2-phenylquinoline-4-carboxylic acid is Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)O.
What is the InChIKey of 3-methyl-2-phenylquinoline-4-carboxylic acid?
The InChIKey is ZSVACLAZDFXWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO2/c1-11-15(17(19)20)13-9-5-6-10-14(13)18-16(11)12-7-3-2-4-8-12/h2-10H,1H3,(H,19,20).
What are the key properties of 3-methyl-2-phenylquinoline-4-carboxylic acid?
3-methyl-2-phenylquinoline-4-carboxylic acid has a molecular weight of 263.30 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-phenylquinoline-4-carboxylic acid is sourced from PubChem (CID 673710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).