1-ethyl-2-phenyl-2H-quinoline-4-carboxylic acid

C18H17NO2 — CID 70170471

IUPAC1-ethyl-2-phenyl-2H-quinoline-4-carboxylic acid
SMILESCCN1c2ccccc2C(C(=O)O)=CC1c1ccccc1
InChIInChI=1S/C18H17NO2/c1-2-19-16-11-7-6-10-14(16)15(18(20)21)12-17(19)13-8-4-3-5-9-13/h3-12,17H,2H2,1H3,(H,20,21)
InChIKeyRELNGDOEBRFKDZ-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.74
Rot. Bonds3

About 1-ethyl-2-phenyl-2H-quinoline-4-carboxylic acid

1-ethyl-2-phenyl-2H-quinoline-4-carboxylic acid (PubChem CID 70170471) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-ethyl-2-phenyl-2H-quinoline-4-carboxylic acid.

Molecular Properties

Compound Name1-ethyl-2-phenyl-2H-quinoline-4-carboxylic acid
PubChem CID70170471
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Name1-ethyl-2-phenyl-2H-quinoline-4-carboxylic acid
SMILESCCN1c2ccccc2C(C(=O)O)=CC1c1ccccc1
InChIInChI=1S/C18H17NO2/c1-2-19-16-11-7-6-10-14(16)15(18(20)21)12-17(19)13-8-4-3-5-9-13/h3-12,17H,2H2,1H3,(H,20,21)
InChIKeyRELNGDOEBRFKDZ-UHFFFAOYSA-N
XLogP3.74
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-2-phenyl-2H-quinoline-4-carboxylic acid;2-methyl-5-nitro-1H-imidazole
CID 70170470
methyl 1-benzyl-2-(3-methoxyphenyl)-2H-quinoline-4-carboxylate
CID 102196240
1-ethyl-3-methyl-2H-benzimidazole-2-carboxylic acid
CID 175398935
1,4-diethyl-2,3,6-triphenyl-2,3-dihydroquinoxaline
CID 139250047
(2S)-1-ethyl-4-methyl-2-(trichloromethyl)-2H-quinoline
CID 902094
diethyl (3R)-3,6-diphenyl-3,6-dihydropyridazine-1,2-dicarboxylate
CID 2755637
9-ethyl-6-fluoren-9-ylidene-8aH-carbazole
CID 66603025
(2S,3S)-1-ethyl-5-oxo-2-phenylpyrrolidine-3-carboxylic acid
CID 17036709
1-ethyl-5-oxo-2-phenylpyrrolidine-3-carboxylic acid
CID 13361997
2-(1-ethyl-2,3-dihydroindol-2-yl)acetic acid
CID 115106317
2-chloro-1,3-diethyl-2H-benzimidazole
CID 69082202
1,3-diethyl-2-iodo-2H-benzimidazole
CID 67548155

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-phenyl-2H-quinoline-4-carboxylic acid?
The IUPAC name of 1-ethyl-2-phenyl-2H-quinoline-4-carboxylic acid (CID 70170471) is 1-ethyl-2-phenyl-2H-quinoline-4-carboxylic acid.
What is the SMILES notation for 1-ethyl-2-phenyl-2H-quinoline-4-carboxylic acid?
The canonical SMILES for 1-ethyl-2-phenyl-2H-quinoline-4-carboxylic acid is CCN1c2ccccc2C(C(=O)O)=CC1c1ccccc1.
What is the InChIKey of 1-ethyl-2-phenyl-2H-quinoline-4-carboxylic acid?
The InChIKey is RELNGDOEBRFKDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2/c1-2-19-16-11-7-6-10-14(16)15(18(20)21)12-17(19)13-8-4-3-5-9-13/h3-12,17H,2H2,1H3,(H,20,21).
What are the key properties of 1-ethyl-2-phenyl-2H-quinoline-4-carboxylic acid?
1-ethyl-2-phenyl-2H-quinoline-4-carboxylic acid has a molecular weight of 279.34 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-phenyl-2H-quinoline-4-carboxylic acid is sourced from PubChem (CID 70170471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).