2-(2,5-dimethoxyphenyl)-6,8-dimethylquinoline-4-carbonyl chloride

C20H18ClNO3 — CID 46779379

IUPAC2-(2,5-dimethoxyphenyl)-6,8-dimethylquinoline-4-carbonyl chloride
SMILESCOc1ccc(OC)c(-c2cc(C(=O)Cl)c3cc(C)cc(C)c3n2)c1
InChIInChI=1S/C20H18ClNO3/c1-11-7-12(2)19-14(8-11)15(20(21)23)10-17(22-19)16-9-13(24-3)5-6-18(16)25-4/h5-10H,1-4H3
InChIKeySEYVNMOVZLQPMQ-UHFFFAOYSA-N
MW355.82 g/mol
LogP4.91
Rot. Bonds4

About 2-(2,5-dimethoxyphenyl)-6,8-dimethylquinoline-4-carbonyl chloride

2-(2,5-dimethoxyphenyl)-6,8-dimethylquinoline-4-carbonyl chloride (PubChem CID 46779379) has the molecular formula C20H18ClNO3 and a molecular weight of 355.82 g/mol. Its IUPAC name is 2-(2,5-dimethoxyphenyl)-6,8-dimethylquinoline-4-carbonyl chloride.

Molecular Properties

Compound Name2-(2,5-dimethoxyphenyl)-6,8-dimethylquinoline-4-carbonyl chloride
PubChem CID46779379
Molecular FormulaC20H18ClNO3
Molecular Weight355.82 g/mol
Exact Mass355.10
IUPAC Name2-(2,5-dimethoxyphenyl)-6,8-dimethylquinoline-4-carbonyl chloride
SMILESCOc1ccc(OC)c(-c2cc(C(=O)Cl)c3cc(C)cc(C)c3n2)c1
InChIInChI=1S/C20H18ClNO3/c1-11-7-12(2)19-14(8-11)15(20(21)23)10-17(22-19)16-9-13(24-3)5-6-18(16)25-4/h5-10H,1-4H3
InChIKeySEYVNMOVZLQPMQ-UHFFFAOYSA-N
XLogP4.91
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.82
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methoxyphenyl)-6,8-dimethylquinoline-4-carbonyl chloride
CID 46779377
8-chloro-2-(2,5-dimethoxyphenyl)quinoline-4-carbonyl chloride
CID 46779499
6-chloro-2-(2,5-dimethoxyphenyl)quinoline-4-carbonyl chloride
CID 46779420
2-(2,5-dimethoxyphenyl)-5,8-dimethylquinoline-4-carboxylic acid
CID 3972105
N-(2,5-dimethoxyphenyl)-6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxamide
CID 19647672
2-(2,5-dimethoxyphenyl)-6-methylquinoline-4-carboxylic acid
CID 841838
(4-methoxyphenyl) 2-(3-methoxyphenyl)-6,8-dimethylquinoline-4-carboxylate
CID 17261073
2-(6-methoxy-1-benzofuran-2-yl)-6,8-dimethylquinoline-4-carboxylic acid
CID 3895723
2-(2,5-dimethoxyphenyl)-8-(trifluoromethyl)quinoline-4-carboxylic acid
CID 3469599
N-(5-chloro-2-methoxyphenyl)-2-(3-methoxyphenyl)-6,8-dimethylquinoline-4-carboxamide
CID 19647766
N-(3-chloro-4-methylphenyl)-2-(4-methoxyphenyl)-6,8-dimethylquinoline-4-carboxamide
CID 19647615
6,8-dimethyl-2-(3-propoxyphenyl)quinoline-4-carbonyl chloride
CID 46779387

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxyphenyl)-6,8-dimethylquinoline-4-carbonyl chloride?
The IUPAC name of 2-(2,5-dimethoxyphenyl)-6,8-dimethylquinoline-4-carbonyl chloride (CID 46779379) is 2-(2,5-dimethoxyphenyl)-6,8-dimethylquinoline-4-carbonyl chloride.
What is the SMILES notation for 2-(2,5-dimethoxyphenyl)-6,8-dimethylquinoline-4-carbonyl chloride?
The canonical SMILES for 2-(2,5-dimethoxyphenyl)-6,8-dimethylquinoline-4-carbonyl chloride is COc1ccc(OC)c(-c2cc(C(=O)Cl)c3cc(C)cc(C)c3n2)c1.
What is the InChIKey of 2-(2,5-dimethoxyphenyl)-6,8-dimethylquinoline-4-carbonyl chloride?
The InChIKey is SEYVNMOVZLQPMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClNO3/c1-11-7-12(2)19-14(8-11)15(20(21)23)10-17(22-19)16-9-13(24-3)5-6-18(16)25-4/h5-10H,1-4H3.
What are the key properties of 2-(2,5-dimethoxyphenyl)-6,8-dimethylquinoline-4-carbonyl chloride?
2-(2,5-dimethoxyphenyl)-6,8-dimethylquinoline-4-carbonyl chloride has a molecular weight of 355.82 g/mol, XLogP of 4.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxyphenyl)-6,8-dimethylquinoline-4-carbonyl chloride is sourced from PubChem (CID 46779379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).