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

C18H15NO2 — CID 155909496

IUPAC2-[3-(2-methylquinolin-4-yl)phenyl]acetic acid
SMILESCc1cc(-c2cccc(CC(=O)O)c2)c2ccccc2n1
InChIInChI=1S/C18H15NO2/c1-12-9-16(15-7-2-3-8-17(15)19-12)14-6-4-5-13(10-14)11-18(20)21/h2-10H,11H2,1H3,(H,20,21)
InChIKeyPFPJOBMKOWCPIU-UHFFFAOYSA-N
MW277.32 g/mol
LogP3.84
Rot. Bonds3

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

2-[3-(2-methylquinolin-4-yl)phenyl]acetic acid (PubChem CID 155909496) has the molecular formula C18H15NO2 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-[3-(2-methylquinolin-4-yl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-(2-methylquinolin-4-yl)phenyl]acetic acid
PubChem CID155909496
Molecular FormulaC18H15NO2
Molecular Weight277.32 g/mol
Exact Mass277.11
IUPAC Name2-[3-(2-methylquinolin-4-yl)phenyl]acetic acid
SMILESCc1cc(-c2cccc(CC(=O)O)c2)c2ccccc2n1
InChIInChI=1S/C18H15NO2/c1-12-9-16(15-7-2-3-8-17(15)19-12)14-6-4-5-13(10-14)11-18(20)21/h2-10H,11H2,1H3,(H,20,21)
InChIKeyPFPJOBMKOWCPIU-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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Related Compounds

2-(2-methylquinolin-4-yl)acetic acid
CID 79019861
2-[3-[2-[3-(carboxymethyl)phenyl]phenyl]phenyl]acetic acid
CID 118456825
2-[3-[4-(4-oxo-3H-quinazolin-2-yl)phenyl]phenyl]acetic acid
CID 168551369
2-(3-methyl-4-phenylphenyl)acetic acid
CID 18793942
N-[1-(dimethylamino)-1-oxopropan-2-yl]-N-methyl-3-(2-methylquinolin-4-yl)benzamide
CID 118795046
N-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]-N-methyl-3-(2-methylquinolin-4-yl)benzamide
CID 125177755
2-[3-(3-methyl-1,2,4-thiadiazol-5-yl)phenyl]acetic acid
CID 130250837
2-[3-(2-amino-5-methyl-3-pyridinyl)phenyl]acetic acid
CID 155500382
2-[carboxymethyl-[(2-methylquinolin-4-yl)methyl]amino]acetic acid
CID 79234105
2-[3-(2-methoxycarbonylphenyl)phenyl]acetic acid
CID 70011966
2-[3-(1-methylsulfinylindol-3-yl)phenyl]acetic acid
CID 143596657
N-[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]-3-(2-methylquinolin-4-yl)benzamide
CID 125159905

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methylquinolin-4-yl)phenyl]acetic acid?
The IUPAC name of 2-[3-(2-methylquinolin-4-yl)phenyl]acetic acid (CID 155909496) is 2-[3-(2-methylquinolin-4-yl)phenyl]acetic acid.
What is the SMILES notation for 2-[3-(2-methylquinolin-4-yl)phenyl]acetic acid?
The canonical SMILES for 2-[3-(2-methylquinolin-4-yl)phenyl]acetic acid is Cc1cc(-c2cccc(CC(=O)O)c2)c2ccccc2n1.
What is the InChIKey of 2-[3-(2-methylquinolin-4-yl)phenyl]acetic acid?
The InChIKey is PFPJOBMKOWCPIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO2/c1-12-9-16(15-7-2-3-8-17(15)19-12)14-6-4-5-13(10-14)11-18(20)21/h2-10H,11H2,1H3,(H,20,21).
What are the key properties of 2-[3-(2-methylquinolin-4-yl)phenyl]acetic acid?
2-[3-(2-methylquinolin-4-yl)phenyl]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-[3-(2-methylquinolin-4-yl)phenyl]acetic acid is sourced from PubChem (CID 155909496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).