8-chloro-2-(4-propan-2-ylphenyl)quinoline-4-carbonyl chloride

C19H15Cl2NO — CID 46779481

IUPAC8-chloro-2-(4-propan-2-ylphenyl)quinoline-4-carbonyl chloride
SMILESCC(C)c1ccc(-c2cc(C(=O)Cl)c3cccc(Cl)c3n2)cc1
InChIInChI=1S/C19H15Cl2NO/c1-11(2)12-6-8-13(9-7-12)17-10-15(19(21)23)14-4-3-5-16(20)18(14)22-17/h3-11H,1-2H3
InChIKeyJQSLDFWUTVWADK-UHFFFAOYSA-N
MW344.24 g/mol
LogP6.06
Rot. Bonds3

About 8-chloro-2-(4-propan-2-ylphenyl)quinoline-4-carbonyl chloride

8-chloro-2-(4-propan-2-ylphenyl)quinoline-4-carbonyl chloride (PubChem CID 46779481) has the molecular formula C19H15Cl2NO and a molecular weight of 344.24 g/mol. Its IUPAC name is 8-chloro-2-(4-propan-2-ylphenyl)quinoline-4-carbonyl chloride.

Molecular Properties

Compound Name8-chloro-2-(4-propan-2-ylphenyl)quinoline-4-carbonyl chloride
PubChem CID46779481
Molecular FormulaC19H15Cl2NO
Molecular Weight344.24 g/mol
Exact Mass343.05
IUPAC Name8-chloro-2-(4-propan-2-ylphenyl)quinoline-4-carbonyl chloride
SMILESCC(C)c1ccc(-c2cc(C(=O)Cl)c3cccc(Cl)c3n2)cc1
InChIInChI=1S/C19H15Cl2NO/c1-11(2)12-6-8-13(9-7-12)17-10-15(19(21)23)14-4-3-5-16(20)18(14)22-17/h3-11H,1-2H3
InChIKeyJQSLDFWUTVWADK-UHFFFAOYSA-N
XLogP6.06
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.24
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

[1-(4-methylphenyl)-1-oxopropan-2-yl] 8-chloro-2-(4-methylphenyl)quinoline-4-carboxylate
CID 3730107
8-chloro-2-(5-chlorothiophen-2-yl)quinoline-4-carbonyl chloride
CID 46779517
8-chloro-2-(4-ethylphenyl)quinoline-4-carbohydrazide
CID 5172981
2-(4-chlorophenyl)-8-propan-2-ylquinoline-4-carboxylic acid
CID 3973517
1-(8-chloro-2-propan-2-ylquinolin-4-yl)ethanone
CID 82448971
8-chloro-2-(2,5-dimethoxyphenyl)quinoline-4-carbonyl chloride
CID 46779499
2-(3,4-dichlorophenyl)quinoline-4-carbonyl chloride
CID 46779248
8-chloro-N-[(E)-4-methylpentan-2-ylideneamino]-2-phenylquinoline-4-carboxamide
CID 17349846
6,8-dimethyl-2-(4-propan-2-ylphenyl)quinoline-4-carboxylic acid
CID 5258869
2-(3,4-dichlorophenyl)-8-methylquinoline-4-carboxylic acid
CID 5202236
7-chloro-8-methyl-2-(3-propan-2-yloxyphenyl)quinoline-4-carbonyl chloride
CID 46779468
7-chloro-8-methyl-2-[4-(2-methylpropoxy)phenyl]quinoline-4-carbonyl chloride
CID 46779472

Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-(4-propan-2-ylphenyl)quinoline-4-carbonyl chloride?
The IUPAC name of 8-chloro-2-(4-propan-2-ylphenyl)quinoline-4-carbonyl chloride (CID 46779481) is 8-chloro-2-(4-propan-2-ylphenyl)quinoline-4-carbonyl chloride.
What is the SMILES notation for 8-chloro-2-(4-propan-2-ylphenyl)quinoline-4-carbonyl chloride?
The canonical SMILES for 8-chloro-2-(4-propan-2-ylphenyl)quinoline-4-carbonyl chloride is CC(C)c1ccc(-c2cc(C(=O)Cl)c3cccc(Cl)c3n2)cc1.
What is the InChIKey of 8-chloro-2-(4-propan-2-ylphenyl)quinoline-4-carbonyl chloride?
The InChIKey is JQSLDFWUTVWADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2NO/c1-11(2)12-6-8-13(9-7-12)17-10-15(19(21)23)14-4-3-5-16(20)18(14)22-17/h3-11H,1-2H3.
What are the key properties of 8-chloro-2-(4-propan-2-ylphenyl)quinoline-4-carbonyl chloride?
8-chloro-2-(4-propan-2-ylphenyl)quinoline-4-carbonyl chloride has a molecular weight of 344.24 g/mol, XLogP of 6.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-(4-propan-2-ylphenyl)quinoline-4-carbonyl chloride is sourced from PubChem (CID 46779481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).