2-(6-chloro-2-methyl-4-phenylquinolin-3-yl)acetic acid

C18H14ClNO2 — CID 2113979

IUPAC2-(6-chloro-2-methyl-4-phenylquinolin-3-yl)acetic acid
SMILESCc1nc2ccc(Cl)cc2c(-c2ccccc2)c1CC(=O)O
InChIInChI=1S/C18H14ClNO2/c1-11-14(10-17(21)22)18(12-5-3-2-4-6-12)15-9-13(19)7-8-16(15)20-11/h2-9H,10H2,1H3,(H,21,22)
InChIKeyBTKJERIPZCSYFB-UHFFFAOYSA-N
MW311.77 g/mol
LogP4.49
Rot. Bonds3

About 2-(6-chloro-2-methyl-4-phenylquinolin-3-yl)acetic acid

2-(6-chloro-2-methyl-4-phenylquinolin-3-yl)acetic acid (PubChem CID 2113979) has the molecular formula C18H14ClNO2 and a molecular weight of 311.77 g/mol. Its IUPAC name is 2-(6-chloro-2-methyl-4-phenylquinolin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(6-chloro-2-methyl-4-phenylquinolin-3-yl)acetic acid
PubChem CID2113979
Molecular FormulaC18H14ClNO2
Molecular Weight311.77 g/mol
Exact Mass311.07
IUPAC Name2-(6-chloro-2-methyl-4-phenylquinolin-3-yl)acetic acid
SMILESCc1nc2ccc(Cl)cc2c(-c2ccccc2)c1CC(=O)O
InChIInChI=1S/C18H14ClNO2/c1-11-14(10-17(21)22)18(12-5-3-2-4-6-12)15-9-13(19)7-8-16(15)20-11/h2-9H,10H2,1H3,(H,21,22)
InChIKeyBTKJERIPZCSYFB-UHFFFAOYSA-N
XLogP4.49
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-2-methyl-4-phenylquinolin-3-yl)acetic acid?
The IUPAC name of 2-(6-chloro-2-methyl-4-phenylquinolin-3-yl)acetic acid (CID 2113979) is 2-(6-chloro-2-methyl-4-phenylquinolin-3-yl)acetic acid.
What is the SMILES notation for 2-(6-chloro-2-methyl-4-phenylquinolin-3-yl)acetic acid?
The canonical SMILES for 2-(6-chloro-2-methyl-4-phenylquinolin-3-yl)acetic acid is Cc1nc2ccc(Cl)cc2c(-c2ccccc2)c1CC(=O)O.
What is the InChIKey of 2-(6-chloro-2-methyl-4-phenylquinolin-3-yl)acetic acid?
The InChIKey is BTKJERIPZCSYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO2/c1-11-14(10-17(21)22)18(12-5-3-2-4-6-12)15-9-13(19)7-8-16(15)20-11/h2-9H,10H2,1H3,(H,21,22).
What are the key properties of 2-(6-chloro-2-methyl-4-phenylquinolin-3-yl)acetic acid?
2-(6-chloro-2-methyl-4-phenylquinolin-3-yl)acetic acid has a molecular weight of 311.77 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-2-methyl-4-phenylquinolin-3-yl)acetic acid is sourced from PubChem (CID 2113979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).