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

C19H17NO2 — CID 623973

IUPAC2-(4-propan-2-ylphenyl)quinoline-4-carboxylic acid
SMILESCC(C)c1ccc(-c2cc(C(=O)O)c3ccccc3n2)cc1
InChIInChI=1S/C19H17NO2/c1-12(2)13-7-9-14(10-8-13)18-11-16(19(21)22)15-5-3-4-6-17(15)20-18/h3-12H,1-2H3,(H,21,22)
InChIKeyJVPIOGXNTJWFNP-UHFFFAOYSA-N
MW291.35 g/mol
LogP4.72
Rot. Bonds3

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

2-(4-propan-2-ylphenyl)quinoline-4-carboxylic acid (PubChem CID 623973) has the molecular formula C19H17NO2 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-(4-propan-2-ylphenyl)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-(4-propan-2-ylphenyl)quinoline-4-carboxylic acid
PubChem CID623973
Molecular FormulaC19H17NO2
Molecular Weight291.35 g/mol
Exact Mass291.13
IUPAC Name2-(4-propan-2-ylphenyl)quinoline-4-carboxylic acid
SMILESCC(C)c1ccc(-c2cc(C(=O)O)c3ccccc3n2)cc1
InChIInChI=1S/C19H17NO2/c1-12(2)13-7-9-14(10-8-13)18-11-16(19(21)22)15-5-3-4-6-17(15)20-18/h3-12H,1-2H3,(H,21,22)
InChIKeyJVPIOGXNTJWFNP-UHFFFAOYSA-N
XLogP4.72
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-ylphenyl)quinoline-4-carboxylic acid?
The IUPAC name of 2-(4-propan-2-ylphenyl)quinoline-4-carboxylic acid (CID 623973) is 2-(4-propan-2-ylphenyl)quinoline-4-carboxylic acid.
What is the SMILES notation for 2-(4-propan-2-ylphenyl)quinoline-4-carboxylic acid?
The canonical SMILES for 2-(4-propan-2-ylphenyl)quinoline-4-carboxylic acid is CC(C)c1ccc(-c2cc(C(=O)O)c3ccccc3n2)cc1.
What is the InChIKey of 2-(4-propan-2-ylphenyl)quinoline-4-carboxylic acid?
The InChIKey is JVPIOGXNTJWFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO2/c1-12(2)13-7-9-14(10-8-13)18-11-16(19(21)22)15-5-3-4-6-17(15)20-18/h3-12H,1-2H3,(H,21,22).
What are the key properties of 2-(4-propan-2-ylphenyl)quinoline-4-carboxylic acid?
2-(4-propan-2-ylphenyl)quinoline-4-carboxylic acid has a molecular weight of 291.35 g/mol, XLogP of 4.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-ylphenyl)quinoline-4-carboxylic acid is sourced from PubChem (CID 623973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).