8-chloro-2-(2,5-dimethoxyphenyl)quinoline-4-carbonyl chloride

C18H13Cl2NO3 — CID 46779499

IUPAC8-chloro-2-(2,5-dimethoxyphenyl)quinoline-4-carbonyl chloride
SMILESCOc1ccc(OC)c(-c2cc(C(=O)Cl)c3cccc(Cl)c3n2)c1
InChIInChI=1S/C18H13Cl2NO3/c1-23-10-6-7-16(24-2)13(8-10)15-9-12(18(20)22)11-4-3-5-14(19)17(11)21-15/h3-9H,1-2H3
InChIKeyKFVQVFLCBFBYGS-UHFFFAOYSA-N
MW362.21 g/mol
LogP4.95
Rot. Bonds4

About 8-chloro-2-(2,5-dimethoxyphenyl)quinoline-4-carbonyl chloride

8-chloro-2-(2,5-dimethoxyphenyl)quinoline-4-carbonyl chloride (PubChem CID 46779499) has the molecular formula C18H13Cl2NO3 and a molecular weight of 362.21 g/mol. Its IUPAC name is 8-chloro-2-(2,5-dimethoxyphenyl)quinoline-4-carbonyl chloride.

Molecular Properties

Compound Name8-chloro-2-(2,5-dimethoxyphenyl)quinoline-4-carbonyl chloride
PubChem CID46779499
Molecular FormulaC18H13Cl2NO3
Molecular Weight362.21 g/mol
Exact Mass361.03
IUPAC Name8-chloro-2-(2,5-dimethoxyphenyl)quinoline-4-carbonyl chloride
SMILESCOc1ccc(OC)c(-c2cc(C(=O)Cl)c3cccc(Cl)c3n2)c1
InChIInChI=1S/C18H13Cl2NO3/c1-23-10-6-7-16(24-2)13(8-10)15-9-12(18(20)22)11-4-3-5-14(19)17(11)21-15/h3-9H,1-2H3
InChIKeyKFVQVFLCBFBYGS-UHFFFAOYSA-N
XLogP4.95
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.21
LogP ≤ 54.95
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-(2,5-dimethoxyphenyl)-6,8-dimethylquinoline-4-carbonyl chloride
CID 46779379
6-chloro-2-(2,5-dimethoxyphenyl)quinoline-4-carbonyl chloride
CID 46779420
2-(2,5-dimethoxyphenyl)-8-(trifluoromethyl)quinoline-4-carboxylic acid
CID 3469599
2-(2,5-dimethoxyphenyl)-5,8-dimethylquinoline-4-carboxylic acid
CID 3972105
8-chloro-2-(5-methoxy-1-benzofuran-2-yl)quinoline-4-carboxylic acid
CID 5014562
8-chloro-2-(4-propan-2-ylphenyl)quinoline-4-carbonyl chloride
CID 46779481
8-chloro-2-(5-chlorothiophen-2-yl)quinoline-4-carbonyl chloride
CID 46779517
2-(2,5-dimethoxyphenyl)-6-methylquinoline-4-carboxylic acid
CID 841838
2-(2,6-dichlorophenyl)-8-methoxyquinoline-4-carboxylate
CID 7139771
methyl 8-chloro-4-(2,5-dimethoxyanilino)quinoline-2-carboxylate
CID 53113369
2,3-dichloro-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 26242208
6-bromo-2-(2,4-dimethoxyphenyl)quinoline-4-carbonyl chloride
CID 46779265

Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-(2,5-dimethoxyphenyl)quinoline-4-carbonyl chloride?
The IUPAC name of 8-chloro-2-(2,5-dimethoxyphenyl)quinoline-4-carbonyl chloride (CID 46779499) is 8-chloro-2-(2,5-dimethoxyphenyl)quinoline-4-carbonyl chloride.
What is the SMILES notation for 8-chloro-2-(2,5-dimethoxyphenyl)quinoline-4-carbonyl chloride?
The canonical SMILES for 8-chloro-2-(2,5-dimethoxyphenyl)quinoline-4-carbonyl chloride is COc1ccc(OC)c(-c2cc(C(=O)Cl)c3cccc(Cl)c3n2)c1.
What is the InChIKey of 8-chloro-2-(2,5-dimethoxyphenyl)quinoline-4-carbonyl chloride?
The InChIKey is KFVQVFLCBFBYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2NO3/c1-23-10-6-7-16(24-2)13(8-10)15-9-12(18(20)22)11-4-3-5-14(19)17(11)21-15/h3-9H,1-2H3.
What are the key properties of 8-chloro-2-(2,5-dimethoxyphenyl)quinoline-4-carbonyl chloride?
8-chloro-2-(2,5-dimethoxyphenyl)quinoline-4-carbonyl chloride has a molecular weight of 362.21 g/mol, XLogP of 4.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-(2,5-dimethoxyphenyl)quinoline-4-carbonyl chloride is sourced from PubChem (CID 46779499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).