2-(4-ethylphenyl)-6-methylquinoline-4-carboxylic acid

C19H17NO2 — CID 1225955

IUPAC2-(4-ethylphenyl)-6-methylquinoline-4-carboxylic acid
SMILESCCc1ccc(-c2cc(C(=O)O)c3cc(C)ccc3n2)cc1
InChIInChI=1S/C19H17NO2/c1-3-13-5-7-14(8-6-13)18-11-16(19(21)22)15-10-12(2)4-9-17(15)20-18/h4-11H,3H2,1-2H3,(H,21,22)
InChIKeyODRZGDOFCZHHNY-UHFFFAOYSA-N
MW291.35 g/mol
LogP4.47
Rot. Bonds3

About 2-(4-ethylphenyl)-6-methylquinoline-4-carboxylic acid

2-(4-ethylphenyl)-6-methylquinoline-4-carboxylic acid (PubChem CID 1225955) has the molecular formula C19H17NO2 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-6-methylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-(4-ethylphenyl)-6-methylquinoline-4-carboxylic acid
PubChem CID1225955
Molecular FormulaC19H17NO2
Molecular Weight291.35 g/mol
Exact Mass291.13
IUPAC Name2-(4-ethylphenyl)-6-methylquinoline-4-carboxylic acid
SMILESCCc1ccc(-c2cc(C(=O)O)c3cc(C)ccc3n2)cc1
InChIInChI=1S/C19H17NO2/c1-3-13-5-7-14(8-6-13)18-11-16(19(21)22)15-10-12(2)4-9-17(15)20-18/h4-11H,3H2,1-2H3,(H,21,22)
InChIKeyODRZGDOFCZHHNY-UHFFFAOYSA-N
XLogP4.47
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-methyl-2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxylic acid
CID 1229845
6-butyl-2-(4-methylphenyl)quinoline-4-carboxylic acid
CID 3996403
2-(4-ethylphenyl)-6-(trifluoromethoxy)quinoline-4-carboxylic acid
CID 4303527
2-(4-ethoxyphenyl)-6-ethylquinoline-4-carboxylic acid
CID 4021744
6-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylic acid
CID 4711644
6-bromo-2-(4-ethylphenyl)quinoline-4-carbonyl chloride
CID 46779263
6-methyl-2-(4-pyrrolidin-1-ylphenyl)quinoline-4-carboxylic acid
CID 168514407
N-(1-benzylpiperidin-4-yl)-2-(4-ethylphenyl)-6-methylquinoline-4-carboxamide
CID 3479625
7-acetamido-2-(4-ethylphenyl)quinoline-4-carboxylic acid
CID 18073631
6-ethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylic acid
CID 4711645
2-[4-(furan-2-yl)phenyl]-6-methylquinoline-4-carboxylic acid
CID 168527201
N-[(E)-1-(2,5-dihydroxyphenyl)ethylideneamino]-2-(4-ethylphenyl)-6-methylquinoline-4-carboxamide
CID 135621528

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-6-methylquinoline-4-carboxylic acid?
The IUPAC name of 2-(4-ethylphenyl)-6-methylquinoline-4-carboxylic acid (CID 1225955) is 2-(4-ethylphenyl)-6-methylquinoline-4-carboxylic acid.
What is the SMILES notation for 2-(4-ethylphenyl)-6-methylquinoline-4-carboxylic acid?
The canonical SMILES for 2-(4-ethylphenyl)-6-methylquinoline-4-carboxylic acid is CCc1ccc(-c2cc(C(=O)O)c3cc(C)ccc3n2)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-6-methylquinoline-4-carboxylic acid?
The InChIKey is ODRZGDOFCZHHNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO2/c1-3-13-5-7-14(8-6-13)18-11-16(19(21)22)15-10-12(2)4-9-17(15)20-18/h4-11H,3H2,1-2H3,(H,21,22).
What are the key properties of 2-(4-ethylphenyl)-6-methylquinoline-4-carboxylic acid?
2-(4-ethylphenyl)-6-methylquinoline-4-carboxylic acid has a molecular weight of 291.35 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-6-methylquinoline-4-carboxylic acid is sourced from PubChem (CID 1225955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).