2-(4-chlorophenyl)-8-propan-2-ylquinoline-4-carboxylic acid

C19H16ClNO2 — CID 3973517

IUPAC2-(4-chlorophenyl)-8-propan-2-ylquinoline-4-carboxylic acid
SMILESCC(C)c1cccc2c(C(=O)O)cc(-c3ccc(Cl)cc3)nc12
InChIInChI=1S/C19H16ClNO2/c1-11(2)14-4-3-5-15-16(19(22)23)10-17(21-18(14)15)12-6-8-13(20)9-7-12/h3-11H,1-2H3,(H,22,23)
InChIKeyKBMSNKLZKNZCSP-UHFFFAOYSA-N
MW325.80 g/mol
LogP5.38
Rot. Bonds3

About 2-(4-chlorophenyl)-8-propan-2-ylquinoline-4-carboxylic acid

2-(4-chlorophenyl)-8-propan-2-ylquinoline-4-carboxylic acid (PubChem CID 3973517) has the molecular formula C19H16ClNO2 and a molecular weight of 325.80 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-8-propan-2-ylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-(4-chlorophenyl)-8-propan-2-ylquinoline-4-carboxylic acid
PubChem CID3973517
Molecular FormulaC19H16ClNO2
Molecular Weight325.80 g/mol
Exact Mass325.09
IUPAC Name2-(4-chlorophenyl)-8-propan-2-ylquinoline-4-carboxylic acid
SMILESCC(C)c1cccc2c(C(=O)O)cc(-c3ccc(Cl)cc3)nc12
InChIInChI=1S/C19H16ClNO2/c1-11(2)14-4-3-5-15-16(19(22)23)10-17(21-18(14)15)12-6-8-13(20)9-7-12/h3-11H,1-2H3,(H,22,23)
InChIKeyKBMSNKLZKNZCSP-UHFFFAOYSA-N
XLogP5.38
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.80
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-methylfuran-2-yl)-8-propan-2-ylquinoline-4-carboxylic acid
CID 3578967
8-chloro-2-(4-propan-2-ylphenyl)quinoline-4-carbonyl chloride
CID 46779481
2-(3,4-dichlorophenyl)-8-methylquinoline-4-carboxylic acid
CID 5202236
8-fluoro-2-[4-(4-fluorophenyl)phenyl]quinoline-4-carboxylic acid
CID 163825423
2-(5-methoxy-1-benzofuran-2-yl)-8-propan-2-ylquinoline-4-carboxylic acid
CID 4006180
2-(4-chlorophenyl)-6,7-dimethylquinoline-4-carboxylic acid
CID 18073531
2-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-8-methylquinoline-4-carboxylic acid
CID 18874811
8-ethyl-2-(4-ethylphenyl)quinoline-4-carboxylic acid
CID 3910389
6,8-dimethyl-2-(4-propan-2-ylphenyl)quinoline-4-carboxylic acid
CID 5258869
(4-methylphenyl) 2-(4-chlorophenyl)-8-methylquinoline-4-carboxylate
CID 5159721
6-chloro-2-(4-chlorophenyl)-8-(trifluoromethyl)quinoline-4-carboxylic acid
CID 633518
6-acetamido-2-(4-chlorophenyl)quinoline-4-carboxylic acid
CID 18073438

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-8-propan-2-ylquinoline-4-carboxylic acid?
The IUPAC name of 2-(4-chlorophenyl)-8-propan-2-ylquinoline-4-carboxylic acid (CID 3973517) is 2-(4-chlorophenyl)-8-propan-2-ylquinoline-4-carboxylic acid.
What is the SMILES notation for 2-(4-chlorophenyl)-8-propan-2-ylquinoline-4-carboxylic acid?
The canonical SMILES for 2-(4-chlorophenyl)-8-propan-2-ylquinoline-4-carboxylic acid is CC(C)c1cccc2c(C(=O)O)cc(-c3ccc(Cl)cc3)nc12.
What is the InChIKey of 2-(4-chlorophenyl)-8-propan-2-ylquinoline-4-carboxylic acid?
The InChIKey is KBMSNKLZKNZCSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO2/c1-11(2)14-4-3-5-15-16(19(22)23)10-17(21-18(14)15)12-6-8-13(20)9-7-12/h3-11H,1-2H3,(H,22,23).
What are the key properties of 2-(4-chlorophenyl)-8-propan-2-ylquinoline-4-carboxylic acid?
2-(4-chlorophenyl)-8-propan-2-ylquinoline-4-carboxylic acid has a molecular weight of 325.80 g/mol, XLogP of 5.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-8-propan-2-ylquinoline-4-carboxylic acid is sourced from PubChem (CID 3973517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).