2-(2-ethoxyphenyl)-6-methylquinoline-4-carbonyl chloride

C19H16ClNO2 — CID 46779305

IUPAC2-(2-ethoxyphenyl)-6-methylquinoline-4-carbonyl chloride
SMILESCCOc1ccccc1-c1cc(C(=O)Cl)c2cc(C)ccc2n1
InChIInChI=1S/C19H16ClNO2/c1-3-23-18-7-5-4-6-13(18)17-11-15(19(20)22)14-10-12(2)8-9-16(14)21-17/h4-11H,3H2,1-2H3
InChIKeyXGQCIMZUPGYQAA-UHFFFAOYSA-N
MW325.80 g/mol
LogP4.99
Rot. Bonds4

About 2-(2-ethoxyphenyl)-6-methylquinoline-4-carbonyl chloride

2-(2-ethoxyphenyl)-6-methylquinoline-4-carbonyl chloride (PubChem CID 46779305) has the molecular formula C19H16ClNO2 and a molecular weight of 325.80 g/mol. Its IUPAC name is 2-(2-ethoxyphenyl)-6-methylquinoline-4-carbonyl chloride.

Molecular Properties

Compound Name2-(2-ethoxyphenyl)-6-methylquinoline-4-carbonyl chloride
PubChem CID46779305
Molecular FormulaC19H16ClNO2
Molecular Weight325.80 g/mol
Exact Mass325.09
IUPAC Name2-(2-ethoxyphenyl)-6-methylquinoline-4-carbonyl chloride
SMILESCCOc1ccccc1-c1cc(C(=O)Cl)c2cc(C)ccc2n1
InChIInChI=1S/C19H16ClNO2/c1-3-23-18-7-5-4-6-13(18)17-11-15(19(20)22)14-10-12(2)8-9-16(14)21-17/h4-11H,3H2,1-2H3
InChIKeyXGQCIMZUPGYQAA-UHFFFAOYSA-N
XLogP4.99
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 ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyphenyl)-6-methylquinoline-4-carbonyl chloride?
The IUPAC name of 2-(2-ethoxyphenyl)-6-methylquinoline-4-carbonyl chloride (CID 46779305) is 2-(2-ethoxyphenyl)-6-methylquinoline-4-carbonyl chloride.
What is the SMILES notation for 2-(2-ethoxyphenyl)-6-methylquinoline-4-carbonyl chloride?
The canonical SMILES for 2-(2-ethoxyphenyl)-6-methylquinoline-4-carbonyl chloride is CCOc1ccccc1-c1cc(C(=O)Cl)c2cc(C)ccc2n1.
What is the InChIKey of 2-(2-ethoxyphenyl)-6-methylquinoline-4-carbonyl chloride?
The InChIKey is XGQCIMZUPGYQAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO2/c1-3-23-18-7-5-4-6-13(18)17-11-15(19(20)22)14-10-12(2)8-9-16(14)21-17/h4-11H,3H2,1-2H3.
What are the key properties of 2-(2-ethoxyphenyl)-6-methylquinoline-4-carbonyl chloride?
2-(2-ethoxyphenyl)-6-methylquinoline-4-carbonyl chloride has a molecular weight of 325.80 g/mol, XLogP of 4.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyphenyl)-6-methylquinoline-4-carbonyl chloride is sourced from PubChem (CID 46779305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).