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

C19H17NO2 — CID 21283577

IUPAC2-(3-ethyl-2-phenylquinolin-4-yl)acetic acid
SMILESCCc1c(-c2ccccc2)nc2ccccc2c1CC(=O)O
InChIInChI=1S/C19H17NO2/c1-2-14-16(12-18(21)22)15-10-6-7-11-17(15)20-19(14)13-8-4-3-5-9-13/h3-11H,2,12H2,1H3,(H,21,22)
InChIKeyAZKUGKPQYATNFM-UHFFFAOYSA-N
MW291.35 g/mol
LogP4.09
Rot. Bonds4

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

2-(3-ethyl-2-phenylquinolin-4-yl)acetic acid (PubChem CID 21283577) has the molecular formula C19H17NO2 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-(3-ethyl-2-phenylquinolin-4-yl)acetic acid.

Molecular Properties

Compound Name2-(3-ethyl-2-phenylquinolin-4-yl)acetic acid
PubChem CID21283577
Molecular FormulaC19H17NO2
Molecular Weight291.35 g/mol
Exact Mass291.13
IUPAC Name2-(3-ethyl-2-phenylquinolin-4-yl)acetic acid
SMILESCCc1c(-c2ccccc2)nc2ccccc2c1CC(=O)O
InChIInChI=1S/C19H17NO2/c1-2-14-16(12-18(21)22)15-10-6-7-11-17(15)20-19(14)13-8-4-3-5-9-13/h3-11H,2,12H2,1H3,(H,21,22)
InChIKeyAZKUGKPQYATNFM-UHFFFAOYSA-N
XLogP4.09
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-phenyl-3-prop-2-enylquinolin-4-yl)acetic acid
CID 141349629
2-acridin-9-ylacetic acid
CID 15525099
2-[2-(4-fluorophenyl)-4-methylquinolin-3-yl]acetic acid
CID 18073377
3-(carboxymethyl)-2-(4-chlorophenyl)quinoline-4-carboxylic acid
CID 4068247
N-benzyl-2-(3-methyl-2-phenylquinolin-4-yl)acetamide
CID 139934118
2-[3-[(dimethylamino)methyl]-2-phenylquinolin-4-yl]-N-[(1S)-1-phenylpropyl]acetamide;hydrochloride
CID 139754977
2-phenylquinoline-3,4-dicarboxylic acid
CID 71341092
2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylquinolin-3-yl]acetic acid
CID 18073383
3-ethyl-7-fluoro-2-phenylquinoline-4-carboxylic acid
CID 43823131
2-[2-(4-methylphenyl)-4-phenylquinolin-3-yl]acetate
CID 8966340
3-(methylsulfonylmethyl)-2-phenylquinoline-4-carboxylic acid
CID 59799728
3-ethyl-2-phenyl-N-(4-phenylbutan-2-yl)quinoline-4-carboxamide
CID 4282482

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-2-phenylquinolin-4-yl)acetic acid?
The IUPAC name of 2-(3-ethyl-2-phenylquinolin-4-yl)acetic acid (CID 21283577) is 2-(3-ethyl-2-phenylquinolin-4-yl)acetic acid.
What is the SMILES notation for 2-(3-ethyl-2-phenylquinolin-4-yl)acetic acid?
The canonical SMILES for 2-(3-ethyl-2-phenylquinolin-4-yl)acetic acid is CCc1c(-c2ccccc2)nc2ccccc2c1CC(=O)O.
What is the InChIKey of 2-(3-ethyl-2-phenylquinolin-4-yl)acetic acid?
The InChIKey is AZKUGKPQYATNFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO2/c1-2-14-16(12-18(21)22)15-10-6-7-11-17(15)20-19(14)13-8-4-3-5-9-13/h3-11H,2,12H2,1H3,(H,21,22).
What are the key properties of 2-(3-ethyl-2-phenylquinolin-4-yl)acetic acid?
2-(3-ethyl-2-phenylquinolin-4-yl)acetic acid has a molecular weight of 291.35 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-2-phenylquinolin-4-yl)acetic acid is sourced from PubChem (CID 21283577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).