7-chloro-2-(3-ethoxyphenyl)-8-methylquinoline-4-carbonyl chloride

C19H15Cl2NO2 — CID 46779458

IUPAC7-chloro-2-(3-ethoxyphenyl)-8-methylquinoline-4-carbonyl chloride
SMILESCCOc1cccc(-c2cc(C(=O)Cl)c3ccc(Cl)c(C)c3n2)c1
InChIInChI=1S/C19H15Cl2NO2/c1-3-24-13-6-4-5-12(9-13)17-10-15(19(21)23)14-7-8-16(20)11(2)18(14)22-17/h4-10H,3H2,1-2H3
InChIKeyOLVWVXGQHULMDD-UHFFFAOYSA-N
MW360.24 g/mol
LogP5.64
Rot. Bonds4

About 7-chloro-2-(3-ethoxyphenyl)-8-methylquinoline-4-carbonyl chloride

7-chloro-2-(3-ethoxyphenyl)-8-methylquinoline-4-carbonyl chloride (PubChem CID 46779458) has the molecular formula C19H15Cl2NO2 and a molecular weight of 360.24 g/mol. Its IUPAC name is 7-chloro-2-(3-ethoxyphenyl)-8-methylquinoline-4-carbonyl chloride.

Molecular Properties

Compound Name7-chloro-2-(3-ethoxyphenyl)-8-methylquinoline-4-carbonyl chloride
PubChem CID46779458
Molecular FormulaC19H15Cl2NO2
Molecular Weight360.24 g/mol
Exact Mass359.05
IUPAC Name7-chloro-2-(3-ethoxyphenyl)-8-methylquinoline-4-carbonyl chloride
SMILESCCOc1cccc(-c2cc(C(=O)Cl)c3ccc(Cl)c(C)c3n2)c1
InChIInChI=1S/C19H15Cl2NO2/c1-3-24-13-6-4-5-12(9-13)17-10-15(19(21)23)14-7-8-16(20)11(2)18(14)22-17/h4-10H,3H2,1-2H3
InChIKeyOLVWVXGQHULMDD-UHFFFAOYSA-N
XLogP5.64
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.24
LogP ≤ 55.64
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

7-chloro-8-methyl-2-(3-propan-2-yloxyphenyl)quinoline-4-carbonyl chloride
CID 46779468
7-chloro-8-methyl-2-[4-(2-methylpropoxy)phenyl]quinoline-4-carbonyl chloride
CID 46779472
6,8-dimethyl-2-(3-propoxyphenyl)quinoline-4-carbonyl chloride
CID 46779387
potassium 2-(3-ethoxyphenyl)-8-methylquinoline-4-carboxylate
CID 23686845
2-(3-ethoxyphenyl)-8-methoxyquinoline-4-carboxylic acid
CID 7139832
2-[(7-chloro-8-methyl-2-phenylquinoline-4-carbonyl)amino]ethyl-dimethylazanium
CID 2220589
7-chloro-N-(2,3-dimethylphenyl)-8-methyl-2-phenylquinoline-4-carboxamide
CID 3769705
1-[6-(3-ethoxyphenyl)-2-methyl-3-pyridinyl]ethanone
CID 82453012
7-chloro-N-(3,4-dichlorophenyl)-8-methyl-2-phenylquinoline-4-carboxamide
CID 17368895
6-ethyl-2-(3-methoxyphenyl)quinoline-4-carbonyl chloride
CID 46779788
[1-(4-methylphenyl)-1-oxopropan-2-yl] 7-chloro-8-methyl-2-(4-methylphenyl)quinoline-4-carboxylate
CID 3848079
[2-(4-nitrophenyl)-2-oxoethyl] 7-chloro-8-methyl-2-phenylquinoline-4-carboxylate
CID 4689787

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(3-ethoxyphenyl)-8-methylquinoline-4-carbonyl chloride?
The IUPAC name of 7-chloro-2-(3-ethoxyphenyl)-8-methylquinoline-4-carbonyl chloride (CID 46779458) is 7-chloro-2-(3-ethoxyphenyl)-8-methylquinoline-4-carbonyl chloride.
What is the SMILES notation for 7-chloro-2-(3-ethoxyphenyl)-8-methylquinoline-4-carbonyl chloride?
The canonical SMILES for 7-chloro-2-(3-ethoxyphenyl)-8-methylquinoline-4-carbonyl chloride is CCOc1cccc(-c2cc(C(=O)Cl)c3ccc(Cl)c(C)c3n2)c1.
What is the InChIKey of 7-chloro-2-(3-ethoxyphenyl)-8-methylquinoline-4-carbonyl chloride?
The InChIKey is OLVWVXGQHULMDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2NO2/c1-3-24-13-6-4-5-12(9-13)17-10-15(19(21)23)14-7-8-16(20)11(2)18(14)22-17/h4-10H,3H2,1-2H3.
What are the key properties of 7-chloro-2-(3-ethoxyphenyl)-8-methylquinoline-4-carbonyl chloride?
7-chloro-2-(3-ethoxyphenyl)-8-methylquinoline-4-carbonyl chloride has a molecular weight of 360.24 g/mol, XLogP of 5.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(3-ethoxyphenyl)-8-methylquinoline-4-carbonyl chloride is sourced from PubChem (CID 46779458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).