8-chloro-3-methyl-2-(4-methylphenyl)quinoline-4-carbonyl chloride

C18H13Cl2NO — CID 46779521

IUPAC8-chloro-3-methyl-2-(4-methylphenyl)quinoline-4-carbonyl chloride
SMILESCc1ccc(-c2nc3c(Cl)cccc3c(C(=O)Cl)c2C)cc1
InChIInChI=1S/C18H13Cl2NO/c1-10-6-8-12(9-7-10)16-11(2)15(18(20)22)13-4-3-5-14(19)17(13)21-16/h3-9H,1-2H3
InChIKeyACXUBVAKFPHICX-UHFFFAOYSA-N
MW330.21 g/mol
LogP5.55
Rot. Bonds2

About 8-chloro-3-methyl-2-(4-methylphenyl)quinoline-4-carbonyl chloride

8-chloro-3-methyl-2-(4-methylphenyl)quinoline-4-carbonyl chloride (PubChem CID 46779521) has the molecular formula C18H13Cl2NO and a molecular weight of 330.21 g/mol. Its IUPAC name is 8-chloro-3-methyl-2-(4-methylphenyl)quinoline-4-carbonyl chloride.

Molecular Properties

Compound Name8-chloro-3-methyl-2-(4-methylphenyl)quinoline-4-carbonyl chloride
PubChem CID46779521
Molecular FormulaC18H13Cl2NO
Molecular Weight330.21 g/mol
Exact Mass329.04
IUPAC Name8-chloro-3-methyl-2-(4-methylphenyl)quinoline-4-carbonyl chloride
SMILESCc1ccc(-c2nc3c(Cl)cccc3c(C(=O)Cl)c2C)cc1
InChIInChI=1S/C18H13Cl2NO/c1-10-6-8-12(9-7-10)16-11(2)15(18(20)22)13-4-3-5-14(19)17(13)21-16/h3-9H,1-2H3
InChIKeyACXUBVAKFPHICX-UHFFFAOYSA-N
XLogP5.55
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.21
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-3-methyl-2-(4-methylphenyl)quinoline-4-carbonyl chloride?
The IUPAC name of 8-chloro-3-methyl-2-(4-methylphenyl)quinoline-4-carbonyl chloride (CID 46779521) is 8-chloro-3-methyl-2-(4-methylphenyl)quinoline-4-carbonyl chloride.
What is the SMILES notation for 8-chloro-3-methyl-2-(4-methylphenyl)quinoline-4-carbonyl chloride?
The canonical SMILES for 8-chloro-3-methyl-2-(4-methylphenyl)quinoline-4-carbonyl chloride is Cc1ccc(-c2nc3c(Cl)cccc3c(C(=O)Cl)c2C)cc1.
What is the InChIKey of 8-chloro-3-methyl-2-(4-methylphenyl)quinoline-4-carbonyl chloride?
The InChIKey is ACXUBVAKFPHICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2NO/c1-10-6-8-12(9-7-10)16-11(2)15(18(20)22)13-4-3-5-14(19)17(13)21-16/h3-9H,1-2H3.
What are the key properties of 8-chloro-3-methyl-2-(4-methylphenyl)quinoline-4-carbonyl chloride?
8-chloro-3-methyl-2-(4-methylphenyl)quinoline-4-carbonyl chloride has a molecular weight of 330.21 g/mol, XLogP of 5.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3-methyl-2-(4-methylphenyl)quinoline-4-carbonyl chloride is sourced from PubChem (CID 46779521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).