6-propan-2-yl-2-pyridin-4-ylquinoline-4-carboxylic acid

C18H16N2O2 — CID 3998413

IUPAC6-propan-2-yl-2-pyridin-4-ylquinoline-4-carboxylic acid
SMILESCC(C)c1ccc2nc(-c3ccncc3)cc(C(=O)O)c2c1
InChIInChI=1S/C18H16N2O2/c1-11(2)13-3-4-16-14(9-13)15(18(21)22)10-17(20-16)12-5-7-19-8-6-12/h3-11H,1-2H3,(H,21,22)
InChIKeyFEYLOYRRVSDAEY-UHFFFAOYSA-N
MW292.34 g/mol
LogP4.12
Rot. Bonds3

About 6-propan-2-yl-2-pyridin-4-ylquinoline-4-carboxylic acid

6-propan-2-yl-2-pyridin-4-ylquinoline-4-carboxylic acid (PubChem CID 3998413) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 6-propan-2-yl-2-pyridin-4-ylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name6-propan-2-yl-2-pyridin-4-ylquinoline-4-carboxylic acid
PubChem CID3998413
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name6-propan-2-yl-2-pyridin-4-ylquinoline-4-carboxylic acid
SMILESCC(C)c1ccc2nc(-c3ccncc3)cc(C(=O)O)c2c1
InChIInChI=1S/C18H16N2O2/c1-11(2)13-3-4-16-14(9-13)15(18(21)22)10-17(20-16)12-5-7-19-8-6-12/h3-11H,1-2H3,(H,21,22)
InChIKeyFEYLOYRRVSDAEY-UHFFFAOYSA-N
XLogP4.12
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-2-pyridin-4-ylquinoline-4-carboxylic acid
CID 3789667
2-(5-methylthiophen-2-yl)-6-propan-2-ylquinoline-4-carboxylic acid
CID 4001748
6-butan-2-yl-2-phenylquinoline-4-carboxylic acid
CID 5183220
2-bromo-6-propan-2-ylquinoline-4-carboxylic acid
CID 82184206
6-(dimethylsulfamoyl)-2-(4-propan-2-ylphenyl)quinoline-4-carboxylic acid
CID 4645947
6-butyl-2-(4-propan-2-ylphenyl)quinoline-4-carboxylic acid
CID 5129375
N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 2220449
methyl 6-bromo-2-pyridin-4-ylquinoline-4-carboxylate
CID 17255626
2-(5-chloro-2-methoxyphenyl)-6-propan-2-ylquinoline-4-carboxylic acid
CID 3441823
methyl 2-[(6-propan-2-yl-2-pyridin-3-ylquinoline-4-carbonyl)amino]acetate
CID 39351435
6-methyl-N,2-dipyridin-4-ylquinoline-4-carboxamide
CID 899146
2-(4-methoxyphenyl)-6-propan-2-yl-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide
CID 3443765

Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-2-pyridin-4-ylquinoline-4-carboxylic acid?
The IUPAC name of 6-propan-2-yl-2-pyridin-4-ylquinoline-4-carboxylic acid (CID 3998413) is 6-propan-2-yl-2-pyridin-4-ylquinoline-4-carboxylic acid.
What is the SMILES notation for 6-propan-2-yl-2-pyridin-4-ylquinoline-4-carboxylic acid?
The canonical SMILES for 6-propan-2-yl-2-pyridin-4-ylquinoline-4-carboxylic acid is CC(C)c1ccc2nc(-c3ccncc3)cc(C(=O)O)c2c1.
What is the InChIKey of 6-propan-2-yl-2-pyridin-4-ylquinoline-4-carboxylic acid?
The InChIKey is FEYLOYRRVSDAEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-11(2)13-3-4-16-14(9-13)15(18(21)22)10-17(20-16)12-5-7-19-8-6-12/h3-11H,1-2H3,(H,21,22).
What are the key properties of 6-propan-2-yl-2-pyridin-4-ylquinoline-4-carboxylic acid?
6-propan-2-yl-2-pyridin-4-ylquinoline-4-carboxylic acid has a molecular weight of 292.34 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-2-pyridin-4-ylquinoline-4-carboxylic acid is sourced from PubChem (CID 3998413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).