2-(4-butan-2-ylphenyl)quinoline-4-carboxylic acid

C20H19NO2 — CID 3796863

IUPAC2-(4-butan-2-ylphenyl)quinoline-4-carboxylic acid
SMILESCCC(C)c1ccc(-c2cc(C(=O)O)c3ccccc3n2)cc1
InChIInChI=1S/C20H19NO2/c1-3-13(2)14-8-10-15(11-9-14)19-12-17(20(22)23)16-6-4-5-7-18(16)21-19/h4-13H,3H2,1-2H3,(H,22,23)
InChIKeyLSQWMFKYQCRUMZ-UHFFFAOYSA-N
MW305.38 g/mol
LogP5.11
Rot. Bonds4

About 2-(4-butan-2-ylphenyl)quinoline-4-carboxylic acid

2-(4-butan-2-ylphenyl)quinoline-4-carboxylic acid (PubChem CID 3796863) has the molecular formula C20H19NO2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 2-(4-butan-2-ylphenyl)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-(4-butan-2-ylphenyl)quinoline-4-carboxylic acid
PubChem CID3796863
Molecular FormulaC20H19NO2
Molecular Weight305.38 g/mol
Exact Mass305.14
IUPAC Name2-(4-butan-2-ylphenyl)quinoline-4-carboxylic acid
SMILESCCC(C)c1ccc(-c2cc(C(=O)O)c3ccccc3n2)cc1
InChIInChI=1S/C20H19NO2/c1-3-13(2)14-8-10-15(11-9-14)19-12-17(20(22)23)16-6-4-5-7-18(16)21-19/h4-13H,3H2,1-2H3,(H,22,23)
InChIKeyLSQWMFKYQCRUMZ-UHFFFAOYSA-N
XLogP5.11
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.38
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-butan-2-yl-2-phenylquinoline-4-carboxylic acid
CID 5183220
europium;2-phenylquinoline-4-carboxylic acid
CID 87730786
2-(4-butan-2-ylphenyl)-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]quinoline-4-carboxamide
CID 4590564
2-[4-[(2R)-butan-2-yl]phenyl]-N-[(1-methylpiperidin-4-ylidene)amino]quinoline-4-carboxamide
CID 40574020
2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxylic acid
CID 2759386
2-[4-[(2S)-butan-2-yl]phenyl]-N-(2-morpholin-4-ylphenyl)quinoline-4-carboxamide
CID 32698444
4-QUINOLINECARBOXYLIC ACID, 2-PHENYL-, SODIUM SALT (1:1)
CID 167996008
N-(4-butan-2-ylphenyl)-2-(3-methylphenyl)quinoline-4-carboxamide
CID 3554541
[2-(2-cyanoethylamino)-2-oxoethyl] 2-(4-butan-2-ylphenyl)quinoline-4-carboxylate
CID 42984721
2-(4-carboxyphenyl)quinoline-4-carboxylic acid
CID 57126411
bis(cyclopentane);bis(2-phenylquinoline-4-carboxylic acid);titanium(2+)
CID 135850214
2-[4-[(2R)-butan-2-yl]phenyl]-N-[[1-(2-phenylethyl)piperidin-4-ylidene]amino]quinoline-4-carboxamide
CID 29057547

Frequently Asked Questions

What is the IUPAC name of 2-(4-butan-2-ylphenyl)quinoline-4-carboxylic acid?
The IUPAC name of 2-(4-butan-2-ylphenyl)quinoline-4-carboxylic acid (CID 3796863) is 2-(4-butan-2-ylphenyl)quinoline-4-carboxylic acid.
What is the SMILES notation for 2-(4-butan-2-ylphenyl)quinoline-4-carboxylic acid?
The canonical SMILES for 2-(4-butan-2-ylphenyl)quinoline-4-carboxylic acid is CCC(C)c1ccc(-c2cc(C(=O)O)c3ccccc3n2)cc1.
What is the InChIKey of 2-(4-butan-2-ylphenyl)quinoline-4-carboxylic acid?
The InChIKey is LSQWMFKYQCRUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO2/c1-3-13(2)14-8-10-15(11-9-14)19-12-17(20(22)23)16-6-4-5-7-18(16)21-19/h4-13H,3H2,1-2H3,(H,22,23).
What are the key properties of 2-(4-butan-2-ylphenyl)quinoline-4-carboxylic acid?
2-(4-butan-2-ylphenyl)quinoline-4-carboxylic acid has a molecular weight of 305.38 g/mol, XLogP of 5.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butan-2-ylphenyl)quinoline-4-carboxylic acid is sourced from PubChem (CID 3796863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).