6,8-dimethyl-2-(3-propoxyphenyl)quinoline-4-carbonyl chloride

C21H20ClNO2 — CID 46779387

IUPAC6,8-dimethyl-2-(3-propoxyphenyl)quinoline-4-carbonyl chloride
SMILESCCCOc1cccc(-c2cc(C(=O)Cl)c3cc(C)cc(C)c3n2)c1
InChIInChI=1S/C21H20ClNO2/c1-4-8-25-16-7-5-6-15(11-16)19-12-18(21(22)24)17-10-13(2)9-14(3)20(17)23-19/h5-7,9-12H,4,8H2,1-3H3
InChIKeyQNRLYXFYXQPCBI-UHFFFAOYSA-N
MW353.85 g/mol
LogP5.69
Rot. Bonds5

About 6,8-dimethyl-2-(3-propoxyphenyl)quinoline-4-carbonyl chloride

6,8-dimethyl-2-(3-propoxyphenyl)quinoline-4-carbonyl chloride (PubChem CID 46779387) has the molecular formula C21H20ClNO2 and a molecular weight of 353.85 g/mol. Its IUPAC name is 6,8-dimethyl-2-(3-propoxyphenyl)quinoline-4-carbonyl chloride.

Molecular Properties

Compound Name6,8-dimethyl-2-(3-propoxyphenyl)quinoline-4-carbonyl chloride
PubChem CID46779387
Molecular FormulaC21H20ClNO2
Molecular Weight353.85 g/mol
Exact Mass353.12
IUPAC Name6,8-dimethyl-2-(3-propoxyphenyl)quinoline-4-carbonyl chloride
SMILESCCCOc1cccc(-c2cc(C(=O)Cl)c3cc(C)cc(C)c3n2)c1
InChIInChI=1S/C21H20ClNO2/c1-4-8-25-16-7-5-6-15(11-16)19-12-18(21(22)24)17-10-13(2)9-14(3)20(17)23-19/h5-7,9-12H,4,8H2,1-3H3
InChIKeyQNRLYXFYXQPCBI-UHFFFAOYSA-N
XLogP5.69
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.85
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6,8-dimethyl-2-(3-propoxyphenyl)quinoline-4-carbonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-methoxyphenyl)-6,8-dimethylquinoline-4-carbonyl chloride
CID 46779377
7-chloro-2-(3-ethoxyphenyl)-8-methylquinoline-4-carbonyl chloride
CID 46779458
2-(4-butoxyphenyl)-6,8-dimethylquinoline-4-carboxylic acid
CID 25218882
8-methoxy-2-(3-propoxyphenyl)quinoline-4-carboxylic acid
CID 7139834
(4-methoxyphenyl) 2-(3-methoxyphenyl)-6,8-dimethylquinoline-4-carboxylate
CID 17261073
(3,5-dimethylphenyl) 2-(3-methoxyphenyl)-6,8-dimethylquinoline-4-carboxylate
CID 19648301
potassium 2-(3-ethoxyphenyl)-8-methylquinoline-4-carboxylate
CID 23686845
2-(3-bromophenyl)-6,8-dimethylquinoline-4-carboxylic acid
CID 997473
ethyl 4-[[2-(3-methoxyphenyl)-6,8-dimethylquinoline-4-carbonyl]amino]benzoate
CID 19647745
N-(5-chloro-2-methoxyphenyl)-2-(3-methoxyphenyl)-6,8-dimethylquinoline-4-carboxamide
CID 19647766
2-(2,5-dimethoxyphenyl)-6,8-dimethylquinoline-4-carbonyl chloride
CID 46779379
2-(3-methoxyphenyl)-6,8-dimethyl-N-(1-phenylethyl)quinoline-4-carboxamide
CID 19647752

Frequently Asked Questions

What is the IUPAC name of 6,8-dimethyl-2-(3-propoxyphenyl)quinoline-4-carbonyl chloride?
The IUPAC name of 6,8-dimethyl-2-(3-propoxyphenyl)quinoline-4-carbonyl chloride (CID 46779387) is 6,8-dimethyl-2-(3-propoxyphenyl)quinoline-4-carbonyl chloride.
What is the SMILES notation for 6,8-dimethyl-2-(3-propoxyphenyl)quinoline-4-carbonyl chloride?
The canonical SMILES for 6,8-dimethyl-2-(3-propoxyphenyl)quinoline-4-carbonyl chloride is CCCOc1cccc(-c2cc(C(=O)Cl)c3cc(C)cc(C)c3n2)c1.
What is the InChIKey of 6,8-dimethyl-2-(3-propoxyphenyl)quinoline-4-carbonyl chloride?
The InChIKey is QNRLYXFYXQPCBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClNO2/c1-4-8-25-16-7-5-6-15(11-16)19-12-18(21(22)24)17-10-13(2)9-14(3)20(17)23-19/h5-7,9-12H,4,8H2,1-3H3.
What are the key properties of 6,8-dimethyl-2-(3-propoxyphenyl)quinoline-4-carbonyl chloride?
6,8-dimethyl-2-(3-propoxyphenyl)quinoline-4-carbonyl chloride has a molecular weight of 353.85 g/mol, XLogP of 5.69, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethyl-2-(3-propoxyphenyl)quinoline-4-carbonyl chloride is sourced from PubChem (CID 46779387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).