2-(4-methoxyphenyl)-6,8-dimethylquinoline-4-carbonyl chloride

C19H16ClNO2 — CID 46779377

IUPAC2-(4-methoxyphenyl)-6,8-dimethylquinoline-4-carbonyl chloride
SMILESCOc1ccc(-c2cc(C(=O)Cl)c3cc(C)cc(C)c3n2)cc1
InChIInChI=1S/C19H16ClNO2/c1-11-8-12(2)18-15(9-11)16(19(20)22)10-17(21-18)13-4-6-14(23-3)7-5-13/h4-10H,1-3H3
InChIKeyAMOHQACFYBDXOI-UHFFFAOYSA-N
MW325.80 g/mol
LogP4.91
Rot. Bonds3

About 2-(4-methoxyphenyl)-6,8-dimethylquinoline-4-carbonyl chloride

2-(4-methoxyphenyl)-6,8-dimethylquinoline-4-carbonyl chloride (PubChem CID 46779377) has the molecular formula C19H16ClNO2 and a molecular weight of 325.80 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-6,8-dimethylquinoline-4-carbonyl chloride.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-6,8-dimethylquinoline-4-carbonyl chloride
PubChem CID46779377
Molecular FormulaC19H16ClNO2
Molecular Weight325.80 g/mol
Exact Mass325.09
IUPAC Name2-(4-methoxyphenyl)-6,8-dimethylquinoline-4-carbonyl chloride
SMILESCOc1ccc(-c2cc(C(=O)Cl)c3cc(C)cc(C)c3n2)cc1
InChIInChI=1S/C19H16ClNO2/c1-11-8-12(2)18-15(9-11)16(19(20)22)10-17(21-18)13-4-6-14(23-3)7-5-13/h4-10H,1-3H3
InChIKeyAMOHQACFYBDXOI-UHFFFAOYSA-N
XLogP4.91
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2,5-dimethoxyphenyl)-6,8-dimethylquinoline-4-carbonyl chloride
CID 46779379
N-(3-chloro-4-methylphenyl)-2-(4-methoxyphenyl)-6,8-dimethylquinoline-4-carboxamide
CID 19647615
N-(2,4-dimethylphenyl)-2-(4-methoxyphenyl)-6,8-dimethylquinoline-4-carboxamide
CID 19647611
(4-tert-butylphenyl) 2-(4-methoxyphenyl)-6,8-dimethylquinoline-4-carboxylate
CID 19648216
N-(2,5-dimethoxyphenyl)-6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxamide
CID 19647672
N-(4-bromo-2,3-dimethylphenyl)-2-(4-methoxyphenyl)-6,8-dimethylquinoline-4-carboxamide
CID 19647635
(3,4-dimethylphenyl) 6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate
CID 19648258
(4-methoxyphenyl) 2-(3-methoxyphenyl)-6,8-dimethylquinoline-4-carboxylate
CID 17261073
6,8-dimethyl-2-(3-propoxyphenyl)quinoline-4-carbonyl chloride
CID 46779387
methyl 2-(4-bromophenyl)-6,8-dimethylquinoline-4-carboxylate
CID 19648155
(4-phenylphenyl) 6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate
CID 19648246
2-(4-butoxyphenyl)-6,8-dimethylquinoline-4-carboxylic acid
CID 25218882

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-6,8-dimethylquinoline-4-carbonyl chloride?
The IUPAC name of 2-(4-methoxyphenyl)-6,8-dimethylquinoline-4-carbonyl chloride (CID 46779377) is 2-(4-methoxyphenyl)-6,8-dimethylquinoline-4-carbonyl chloride.
What is the SMILES notation for 2-(4-methoxyphenyl)-6,8-dimethylquinoline-4-carbonyl chloride?
The canonical SMILES for 2-(4-methoxyphenyl)-6,8-dimethylquinoline-4-carbonyl chloride is COc1ccc(-c2cc(C(=O)Cl)c3cc(C)cc(C)c3n2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-6,8-dimethylquinoline-4-carbonyl chloride?
The InChIKey is AMOHQACFYBDXOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO2/c1-11-8-12(2)18-15(9-11)16(19(20)22)10-17(21-18)13-4-6-14(23-3)7-5-13/h4-10H,1-3H3.
What are the key properties of 2-(4-methoxyphenyl)-6,8-dimethylquinoline-4-carbonyl chloride?
2-(4-methoxyphenyl)-6,8-dimethylquinoline-4-carbonyl chloride has a molecular weight of 325.80 g/mol, XLogP of 4.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-6,8-dimethylquinoline-4-carbonyl chloride is sourced from PubChem (CID 46779377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).