6-butyl-2-(4-propan-2-ylphenyl)quinoline-4-carboxylic acid

C23H25NO2 — CID 5129375

IUPAC6-butyl-2-(4-propan-2-ylphenyl)quinoline-4-carboxylic acid
SMILESCCCCc1ccc2nc(-c3ccc(C(C)C)cc3)cc(C(=O)O)c2c1
InChIInChI=1S/C23H25NO2/c1-4-5-6-16-7-12-21-19(13-16)20(23(25)26)14-22(24-21)18-10-8-17(9-11-18)15(2)3/h7-15H,4-6H2,1-3H3,(H,25,26)
InChIKeyJRHOFPLCPXBREI-UHFFFAOYSA-N
MW347.46 g/mol
LogP6.07
Rot. Bonds6

About 6-butyl-2-(4-propan-2-ylphenyl)quinoline-4-carboxylic acid

6-butyl-2-(4-propan-2-ylphenyl)quinoline-4-carboxylic acid (PubChem CID 5129375) has the molecular formula C23H25NO2 and a molecular weight of 347.46 g/mol. Its IUPAC name is 6-butyl-2-(4-propan-2-ylphenyl)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name6-butyl-2-(4-propan-2-ylphenyl)quinoline-4-carboxylic acid
PubChem CID5129375
Molecular FormulaC23H25NO2
Molecular Weight347.46 g/mol
Exact Mass347.19
IUPAC Name6-butyl-2-(4-propan-2-ylphenyl)quinoline-4-carboxylic acid
SMILESCCCCc1ccc2nc(-c3ccc(C(C)C)cc3)cc(C(=O)O)c2c1
InChIInChI=1S/C23H25NO2/c1-4-5-6-16-7-12-21-19(13-16)20(23(25)26)14-22(24-21)18-10-8-17(9-11-18)15(2)3/h7-15H,4-6H2,1-3H3,(H,25,26)
InChIKeyJRHOFPLCPXBREI-UHFFFAOYSA-N
XLogP6.07
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.46
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-butyl-2-(4-methylphenyl)quinoline-4-carboxylic acid
CID 3996403
6-butyl-2-methylquinoline-4-carboxylic acid
CID 4572965
2-[5-(4-butylphenyl)furan-2-yl]-6-ethylquinoline-4-carboxylic acid
CID 167502276
6-propan-2-yl-2-pyridin-4-ylquinoline-4-carboxylic acid
CID 3998413
2-(4-ethylphenyl)-6-methylquinoline-4-carboxylic acid
CID 1225955
6-(dimethylsulfamoyl)-2-(4-propan-2-ylphenyl)quinoline-4-carboxylic acid
CID 4645947
6-butyl-2-(5-chloro-1-benzofuran-2-yl)quinoline-4-carboxylic acid
CID 3909464
6-butan-2-yl-2-phenylquinoline-4-carboxylic acid
CID 5183220
6-methyl-2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxylic acid
CID 1229845
2-(4-ethoxyphenyl)-6-ethylquinoline-4-carboxylic acid
CID 4021744
2-(4-butan-2-ylphenyl)quinoline-4-carboxylic acid
CID 3796863
6-(3-hydroxypropyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylic acid
CID 69111148

Frequently Asked Questions

What is the IUPAC name of 6-butyl-2-(4-propan-2-ylphenyl)quinoline-4-carboxylic acid?
The IUPAC name of 6-butyl-2-(4-propan-2-ylphenyl)quinoline-4-carboxylic acid (CID 5129375) is 6-butyl-2-(4-propan-2-ylphenyl)quinoline-4-carboxylic acid.
What is the SMILES notation for 6-butyl-2-(4-propan-2-ylphenyl)quinoline-4-carboxylic acid?
The canonical SMILES for 6-butyl-2-(4-propan-2-ylphenyl)quinoline-4-carboxylic acid is CCCCc1ccc2nc(-c3ccc(C(C)C)cc3)cc(C(=O)O)c2c1.
What is the InChIKey of 6-butyl-2-(4-propan-2-ylphenyl)quinoline-4-carboxylic acid?
The InChIKey is JRHOFPLCPXBREI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO2/c1-4-5-6-16-7-12-21-19(13-16)20(23(25)26)14-22(24-21)18-10-8-17(9-11-18)15(2)3/h7-15H,4-6H2,1-3H3,(H,25,26).
What are the key properties of 6-butyl-2-(4-propan-2-ylphenyl)quinoline-4-carboxylic acid?
6-butyl-2-(4-propan-2-ylphenyl)quinoline-4-carboxylic acid has a molecular weight of 347.46 g/mol, XLogP of 6.07, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-2-(4-propan-2-ylphenyl)quinoline-4-carboxylic acid is sourced from PubChem (CID 5129375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).