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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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).