2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxylic acid

C20H19NO2 — CID 2759386

IUPAC2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxylic acid
SMILESCC(C)Cc1ccc(-c2cc(C(=O)O)c3ccccc3n2)cc1
InChIInChI=1S/C20H19NO2/c1-13(2)11-14-7-9-15(10-8-14)19-12-17(20(22)23)16-5-3-4-6-18(16)21-19/h3-10,12-13H,11H2,1-2H3,(H,22,23)
InChIKeyQIIGIVFDELUNTD-UHFFFAOYSA-N
MW305.38 g/mol
LogP4.80
Rot. Bonds4

About 2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxylic acid

2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxylic acid (PubChem CID 2759386) has the molecular formula C20H19NO2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxylic acid
PubChem CID2759386
Molecular FormulaC20H19NO2
Molecular Weight305.38 g/mol
Exact Mass305.14
IUPAC Name2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxylic acid
SMILESCC(C)Cc1ccc(-c2cc(C(=O)O)c3ccccc3n2)cc1
InChIInChI=1S/C20H19NO2/c1-13(2)11-14-7-9-15(10-8-14)19-12-17(20(22)23)16-5-3-4-6-18(16)21-19/h3-10,12-13H,11H2,1-2H3,(H,22,23)
InChIKeyQIIGIVFDELUNTD-UHFFFAOYSA-N
XLogP4.80
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-methyl-2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxylic acid
CID 1229845
N-cyclododecyl-2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxamide
CID 4287408
2-(4-butan-2-ylphenyl)quinoline-4-carboxylic acid
CID 3796863
europium;2-phenylquinoline-4-carboxylic acid
CID 87730786
4-QUINOLINECARBOXYLIC ACID, 2-PHENYL-, SODIUM SALT (1:1)
CID 167996008
bis(cyclopentane);bis(2-phenylquinoline-4-carboxylic acid);titanium(2+)
CID 135850214
2-(4-carboxyphenyl)quinoline-4-carboxylic acid
CID 57126411
4-(4-carboxyquinolin-2-yl)phenolate
CID 135399143
CID 87530134
CID 87530134
2-(4-ethylphenyl)-N-(2-methylpropyl)quinoline-4-carboxamide
CID 3558127
N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxamide
CID 995074
2-phenylquinoline-4-carboxylic acid;prop-1-ene
CID 143187114

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxylic acid?
The IUPAC name of 2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxylic acid (CID 2759386) is 2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxylic acid.
What is the SMILES notation for 2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxylic acid?
The canonical SMILES for 2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxylic acid is CC(C)Cc1ccc(-c2cc(C(=O)O)c3ccccc3n2)cc1.
What is the InChIKey of 2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxylic acid?
The InChIKey is QIIGIVFDELUNTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO2/c1-13(2)11-14-7-9-15(10-8-14)19-12-17(20(22)23)16-5-3-4-6-18(16)21-19/h3-10,12-13H,11H2,1-2H3,(H,22,23).
What are the key properties of 2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxylic acid?
2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxylic acid has a molecular weight of 305.38 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxylic acid is sourced from PubChem (CID 2759386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).