2-[4-(4-chlorophenyl)-2-methylquinolin-3-yl]acetic acid

C18H14ClNO2 — CID 90655878

IUPAC2-[4-(4-chlorophenyl)-2-methylquinolin-3-yl]acetic acid
SMILESCc1nc2ccccc2c(-c2ccc(Cl)cc2)c1CC(=O)O
InChIInChI=1S/C18H14ClNO2/c1-11-15(10-17(21)22)18(12-6-8-13(19)9-7-12)14-4-2-3-5-16(14)20-11/h2-9H,10H2,1H3,(H,21,22)
InChIKeyKKMHEKASRMXUNH-UHFFFAOYSA-N
MW311.77 g/mol
LogP4.49
Rot. Bonds3

About 2-[4-(4-chlorophenyl)-2-methylquinolin-3-yl]acetic acid

2-[4-(4-chlorophenyl)-2-methylquinolin-3-yl]acetic acid (PubChem CID 90655878) has the molecular formula C18H14ClNO2 and a molecular weight of 311.77 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)-2-methylquinolin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)-2-methylquinolin-3-yl]acetic acid
PubChem CID90655878
Molecular FormulaC18H14ClNO2
Molecular Weight311.77 g/mol
Exact Mass311.07
IUPAC Name2-[4-(4-chlorophenyl)-2-methylquinolin-3-yl]acetic acid
SMILESCc1nc2ccccc2c(-c2ccc(Cl)cc2)c1CC(=O)O
InChIInChI=1S/C18H14ClNO2/c1-11-15(10-17(21)22)18(12-6-8-13(19)9-7-12)14-4-2-3-5-16(14)20-11/h2-9H,10H2,1H3,(H,21,22)
InChIKeyKKMHEKASRMXUNH-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-[4-(4-chlorophenyl)-2-methylquinolin-3-yl]acetic acid?
The IUPAC name of 2-[4-(4-chlorophenyl)-2-methylquinolin-3-yl]acetic acid (CID 90655878) is 2-[4-(4-chlorophenyl)-2-methylquinolin-3-yl]acetic acid.
What is the SMILES notation for 2-[4-(4-chlorophenyl)-2-methylquinolin-3-yl]acetic acid?
The canonical SMILES for 2-[4-(4-chlorophenyl)-2-methylquinolin-3-yl]acetic acid is Cc1nc2ccccc2c(-c2ccc(Cl)cc2)c1CC(=O)O.
What is the InChIKey of 2-[4-(4-chlorophenyl)-2-methylquinolin-3-yl]acetic acid?
The InChIKey is KKMHEKASRMXUNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO2/c1-11-15(10-17(21)22)18(12-6-8-13(19)9-7-12)14-4-2-3-5-16(14)20-11/h2-9H,10H2,1H3,(H,21,22).
What are the key properties of 2-[4-(4-chlorophenyl)-2-methylquinolin-3-yl]acetic acid?
2-[4-(4-chlorophenyl)-2-methylquinolin-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-[4-(4-chlorophenyl)-2-methylquinolin-3-yl]acetic acid is sourced from PubChem (CID 90655878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).