6-ethyl-2-(3-methoxyphenyl)quinoline-4-carbonyl chloride

C19H16ClNO2 — CID 46779788

IUPAC6-ethyl-2-(3-methoxyphenyl)quinoline-4-carbonyl chloride
SMILESCCc1ccc2nc(-c3cccc(OC)c3)cc(C(=O)Cl)c2c1
InChIInChI=1S/C19H16ClNO2/c1-3-12-7-8-17-15(9-12)16(19(20)22)11-18(21-17)13-5-4-6-14(10-13)23-2/h4-11H,3H2,1-2H3
InChIKeyKGPFYBLYVKXPQU-UHFFFAOYSA-N
MW325.80 g/mol
LogP4.85
Rot. Bonds4

About 6-ethyl-2-(3-methoxyphenyl)quinoline-4-carbonyl chloride

6-ethyl-2-(3-methoxyphenyl)quinoline-4-carbonyl chloride (PubChem CID 46779788) has the molecular formula C19H16ClNO2 and a molecular weight of 325.80 g/mol. Its IUPAC name is 6-ethyl-2-(3-methoxyphenyl)quinoline-4-carbonyl chloride.

Molecular Properties

Compound Name6-ethyl-2-(3-methoxyphenyl)quinoline-4-carbonyl chloride
PubChem CID46779788
Molecular FormulaC19H16ClNO2
Molecular Weight325.80 g/mol
Exact Mass325.09
IUPAC Name6-ethyl-2-(3-methoxyphenyl)quinoline-4-carbonyl chloride
SMILESCCc1ccc2nc(-c3cccc(OC)c3)cc(C(=O)Cl)c2c1
InChIInChI=1S/C19H16ClNO2/c1-3-12-7-8-17-15(9-12)16(19(20)22)11-18(21-17)13-5-4-6-14(10-13)23-2/h4-11H,3H2,1-2H3
InChIKeyKGPFYBLYVKXPQU-UHFFFAOYSA-N
XLogP4.85
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 54.85
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-(3-methoxyphenyl)-6-methylquinoline-4-carboxylate
CID 4744706
6-bromo-2-(4-ethylphenyl)quinoline-4-carbonyl chloride
CID 46779263
6-bromo-2-(3-methoxyphenyl)quinoline-4-carboxylate
CID 5103273
6-acetamido-2-(3-methoxyphenyl)quinoline-4-carboxylic acid
CID 18073446
2-(4-ethoxyphenyl)-6-ethylquinoline-4-carboxylic acid
CID 4021744
6-(dimethylsulfamoyl)-2-(3-methoxyphenyl)quinoline-4-carboxylic acid
CID 3889769
2-(3-methoxyphenyl)-6-methyl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide
CID 42750052
6-ethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylic acid
CID 4711645
N-(1,2-diphenylethyl)-2-(3-methoxyphenyl)-6-methylquinoline-4-carboxamide
CID 42659177
N-(4-ethoxyphenyl)-6-ethyl-2-phenylquinoline-4-carboxamide
CID 3898421
2-(3-methoxyphenyl)-4-[2-(4-methylphenyl)ethyl]quinoline
CID 143088699
N-hexyl-2-(3-methoxyphenyl)quinoline-4-carboxamide
CID 4540547

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-(3-methoxyphenyl)quinoline-4-carbonyl chloride?
The IUPAC name of 6-ethyl-2-(3-methoxyphenyl)quinoline-4-carbonyl chloride (CID 46779788) is 6-ethyl-2-(3-methoxyphenyl)quinoline-4-carbonyl chloride.
What is the SMILES notation for 6-ethyl-2-(3-methoxyphenyl)quinoline-4-carbonyl chloride?
The canonical SMILES for 6-ethyl-2-(3-methoxyphenyl)quinoline-4-carbonyl chloride is CCc1ccc2nc(-c3cccc(OC)c3)cc(C(=O)Cl)c2c1.
What is the InChIKey of 6-ethyl-2-(3-methoxyphenyl)quinoline-4-carbonyl chloride?
The InChIKey is KGPFYBLYVKXPQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO2/c1-3-12-7-8-17-15(9-12)16(19(20)22)11-18(21-17)13-5-4-6-14(10-13)23-2/h4-11H,3H2,1-2H3.
What are the key properties of 6-ethyl-2-(3-methoxyphenyl)quinoline-4-carbonyl chloride?
6-ethyl-2-(3-methoxyphenyl)quinoline-4-carbonyl chloride has a molecular weight of 325.80 g/mol, XLogP of 4.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-(3-methoxyphenyl)quinoline-4-carbonyl chloride is sourced from PubChem (CID 46779788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).