8-ethyl-2-pyridin-4-ylquinoline-4-carboxylic acid

C17H14N2O2 — CID 3497409

IUPAC8-ethyl-2-pyridin-4-ylquinoline-4-carboxylic acid
SMILESCCc1cccc2c(C(=O)O)cc(-c3ccncc3)nc12
InChIInChI=1S/C17H14N2O2/c1-2-11-4-3-5-13-14(17(20)21)10-15(19-16(11)13)12-6-8-18-9-7-12/h3-10H,2H2,1H3,(H,20,21)
InChIKeyPUKKVYDLJKYJHO-UHFFFAOYSA-N
MW278.31 g/mol
LogP3.56
Rot. Bonds3

About 8-ethyl-2-pyridin-4-ylquinoline-4-carboxylic acid

8-ethyl-2-pyridin-4-ylquinoline-4-carboxylic acid (PubChem CID 3497409) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is 8-ethyl-2-pyridin-4-ylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name8-ethyl-2-pyridin-4-ylquinoline-4-carboxylic acid
PubChem CID3497409
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Name8-ethyl-2-pyridin-4-ylquinoline-4-carboxylic acid
SMILESCCc1cccc2c(C(=O)O)cc(-c3ccncc3)nc12
InChIInChI=1S/C17H14N2O2/c1-2-11-4-3-5-13-14(17(20)21)10-15(19-16(11)13)12-6-8-18-9-7-12/h3-10H,2H2,1H3,(H,20,21)
InChIKeyPUKKVYDLJKYJHO-UHFFFAOYSA-N
XLogP3.56
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-ethyl-2-(4-ethylphenyl)quinoline-4-carboxylic acid
CID 3910389
8-(carboxymethyl)-2-phenylquinoline-4-carboxylic acid
CID 71039932
8-ethyl-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid
CID 3928035
8-bromo-2-(4-ethylphenyl)quinoline-4-carboxylic acid
CID 4261180
2-cyclopentyl-8-ethylquinoline-4-carboxylic acid
CID 4985765
8-ethyl-2-phenylquinolin-4-amine
CID 55045650
2-(5-bromo-1-benzofuran-2-yl)-8-ethylquinoline-4-carboxylic acid
CID 4234786
8-methyl-2-(4-pentoxyphenyl)quinoline-4-carboxylic acid
CID 7139668
5,8-difluoro-2-pyridin-4-ylquinoline-4-carboxylic acid
CID 83206411
1-(8-ethyl-2-methylquinolin-4-yl)ethanone
CID 82447963
8-fluoro-2-[4-(4-fluorophenyl)phenyl]quinoline-4-carboxylic acid
CID 163825423
1-(8-ethyl-2-propan-2-ylquinolin-4-yl)ethanone
CID 82447995

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-2-pyridin-4-ylquinoline-4-carboxylic acid?
The IUPAC name of 8-ethyl-2-pyridin-4-ylquinoline-4-carboxylic acid (CID 3497409) is 8-ethyl-2-pyridin-4-ylquinoline-4-carboxylic acid.
What is the SMILES notation for 8-ethyl-2-pyridin-4-ylquinoline-4-carboxylic acid?
The canonical SMILES for 8-ethyl-2-pyridin-4-ylquinoline-4-carboxylic acid is CCc1cccc2c(C(=O)O)cc(-c3ccncc3)nc12.
What is the InChIKey of 8-ethyl-2-pyridin-4-ylquinoline-4-carboxylic acid?
The InChIKey is PUKKVYDLJKYJHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c1-2-11-4-3-5-13-14(17(20)21)10-15(19-16(11)13)12-6-8-18-9-7-12/h3-10H,2H2,1H3,(H,20,21).
What are the key properties of 8-ethyl-2-pyridin-4-ylquinoline-4-carboxylic acid?
8-ethyl-2-pyridin-4-ylquinoline-4-carboxylic acid has a molecular weight of 278.31 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-2-pyridin-4-ylquinoline-4-carboxylic acid is sourced from PubChem (CID 3497409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).