2-(2-methyl-4-phenylquinolin-3-yl)acetic acid

C18H15NO2 — CID 2113303

IUPAC2-(2-methyl-4-phenylquinolin-3-yl)acetic acid
SMILESCc1nc2ccccc2c(-c2ccccc2)c1CC(=O)O
InChIInChI=1S/C18H15NO2/c1-12-15(11-17(20)21)18(13-7-3-2-4-8-13)14-9-5-6-10-16(14)19-12/h2-10H,11H2,1H3,(H,20,21)
InChIKeyCLQRMTMJJUSGRK-UHFFFAOYSA-N
MW277.32 g/mol
LogP3.84
Rot. Bonds3

About 2-(2-methyl-4-phenylquinolin-3-yl)acetic acid

2-(2-methyl-4-phenylquinolin-3-yl)acetic acid (PubChem CID 2113303) has the molecular formula C18H15NO2 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-(2-methyl-4-phenylquinolin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(2-methyl-4-phenylquinolin-3-yl)acetic acid
PubChem CID2113303
Molecular FormulaC18H15NO2
Molecular Weight277.32 g/mol
Exact Mass277.11
IUPAC Name2-(2-methyl-4-phenylquinolin-3-yl)acetic acid
SMILESCc1nc2ccccc2c(-c2ccccc2)c1CC(=O)O
InChIInChI=1S/C18H15NO2/c1-12-15(11-17(20)21)18(13-7-3-2-4-8-13)14-9-5-6-10-16(14)19-12/h2-10H,11H2,1H3,(H,20,21)
InChIKeyCLQRMTMJJUSGRK-UHFFFAOYSA-N
XLogP3.84
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-4-phenylquinolin-3-yl)acetic acid?
The IUPAC name of 2-(2-methyl-4-phenylquinolin-3-yl)acetic acid (CID 2113303) is 2-(2-methyl-4-phenylquinolin-3-yl)acetic acid.
What is the SMILES notation for 2-(2-methyl-4-phenylquinolin-3-yl)acetic acid?
The canonical SMILES for 2-(2-methyl-4-phenylquinolin-3-yl)acetic acid is Cc1nc2ccccc2c(-c2ccccc2)c1CC(=O)O.
What is the InChIKey of 2-(2-methyl-4-phenylquinolin-3-yl)acetic acid?
The InChIKey is CLQRMTMJJUSGRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO2/c1-12-15(11-17(20)21)18(13-7-3-2-4-8-13)14-9-5-6-10-16(14)19-12/h2-10H,11H2,1H3,(H,20,21).
What are the key properties of 2-(2-methyl-4-phenylquinolin-3-yl)acetic acid?
2-(2-methyl-4-phenylquinolin-3-yl)acetic acid has a molecular weight of 277.32 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-4-phenylquinolin-3-yl)acetic acid is sourced from PubChem (CID 2113303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).