6-butan-2-yl-2-phenylquinoline-4-carboxylic acid

C20H19NO2 — CID 5183220

IUPAC6-butan-2-yl-2-phenylquinoline-4-carboxylic acid
SMILESCCC(C)c1ccc2nc(-c3ccccc3)cc(C(=O)O)c2c1
InChIInChI=1S/C20H19NO2/c1-3-13(2)15-9-10-18-16(11-15)17(20(22)23)12-19(21-18)14-7-5-4-6-8-14/h4-13H,3H2,1-2H3,(H,22,23)
InChIKeyFEQOOGSWMSQRRG-UHFFFAOYSA-N
MW305.38 g/mol
LogP5.11
Rot. Bonds4

About 6-butan-2-yl-2-phenylquinoline-4-carboxylic acid

6-butan-2-yl-2-phenylquinoline-4-carboxylic acid (PubChem CID 5183220) has the molecular formula C20H19NO2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 6-butan-2-yl-2-phenylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name6-butan-2-yl-2-phenylquinoline-4-carboxylic acid
PubChem CID5183220
Molecular FormulaC20H19NO2
Molecular Weight305.38 g/mol
Exact Mass305.14
IUPAC Name6-butan-2-yl-2-phenylquinoline-4-carboxylic acid
SMILESCCC(C)c1ccc2nc(-c3ccccc3)cc(C(=O)O)c2c1
InChIInChI=1S/C20H19NO2/c1-3-13(2)15-9-10-18-16(11-15)17(20(22)23)12-19(21-18)14-7-5-4-6-8-14/h4-13H,3H2,1-2H3,(H,22,23)
InChIKeyFEQOOGSWMSQRRG-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

2-(4-butan-2-ylphenyl)quinoline-4-carboxylic acid
CID 3796863
6-butan-2-yl-2-(3,4-dimethoxyphenyl)quinoline-4-carboxylic acid
CID 3384731
6-butan-2-yl-2-(4-methoxy-3-methylphenyl)quinoline-4-carboxylic acid
CID 4023942
6-propan-2-yl-2-pyridin-4-ylquinoline-4-carboxylic acid
CID 3998413
europium;2-phenylquinoline-4-carboxylic acid
CID 87730786
4-QUINOLINECARBOXYLIC ACID, 2-PHENYL-, SODIUM SALT (1:1)
CID 167996008
6-butyl-2-(4-propan-2-ylphenyl)quinoline-4-carboxylic acid
CID 5129375
N-(4-butan-2-ylphenyl)-2-(3-methylphenyl)quinoline-4-carboxamide
CID 3554541
6-(1-hydroxy-2-morpholin-4-ylethyl)-2-phenyl-N,N-di(propan-2-yl)quinoline-4-carboxamide
CID 101266340
2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxylic acid
CID 2759386
6-(dimethylsulfamoyl)-2-(4-propan-2-ylphenyl)quinoline-4-carboxylic acid
CID 4645947
2-(4-butan-2-ylphenyl)-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]quinoline-4-carboxamide
CID 4590564

Frequently Asked Questions

What is the IUPAC name of 6-butan-2-yl-2-phenylquinoline-4-carboxylic acid?
The IUPAC name of 6-butan-2-yl-2-phenylquinoline-4-carboxylic acid (CID 5183220) is 6-butan-2-yl-2-phenylquinoline-4-carboxylic acid.
What is the SMILES notation for 6-butan-2-yl-2-phenylquinoline-4-carboxylic acid?
The canonical SMILES for 6-butan-2-yl-2-phenylquinoline-4-carboxylic acid is CCC(C)c1ccc2nc(-c3ccccc3)cc(C(=O)O)c2c1.
What is the InChIKey of 6-butan-2-yl-2-phenylquinoline-4-carboxylic acid?
The InChIKey is FEQOOGSWMSQRRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO2/c1-3-13(2)15-9-10-18-16(11-15)17(20(22)23)12-19(21-18)14-7-5-4-6-8-14/h4-13H,3H2,1-2H3,(H,22,23).
What are the key properties of 6-butan-2-yl-2-phenylquinoline-4-carboxylic acid?
6-butan-2-yl-2-phenylquinoline-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 6-butan-2-yl-2-phenylquinoline-4-carboxylic acid is sourced from PubChem (CID 5183220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).