4-chloro-6-methoxy-2-phenylquinoline-3-carbonyl chloride

C17H11Cl2NO2 — CID 3022170

IUPAC4-chloro-6-methoxy-2-phenylquinoline-3-carbonyl chloride
SMILESCOc1ccc2nc(-c3ccccc3)c(C(=O)Cl)c(Cl)c2c1
InChIInChI=1S/C17H11Cl2NO2/c1-22-11-7-8-13-12(9-11)15(18)14(17(19)21)16(20-13)10-5-3-2-4-6-10/h2-9H,1H3
InChIKeyPDOQRTWUSCJWFT-UHFFFAOYSA-N
MW332.19 g/mol
LogP4.94
Rot. Bonds3

About 4-chloro-6-methoxy-2-phenylquinoline-3-carbonyl chloride

4-chloro-6-methoxy-2-phenylquinoline-3-carbonyl chloride (PubChem CID 3022170) has the molecular formula C17H11Cl2NO2 and a molecular weight of 332.19 g/mol. Its IUPAC name is 4-chloro-6-methoxy-2-phenylquinoline-3-carbonyl chloride.

Molecular Properties

Compound Name4-chloro-6-methoxy-2-phenylquinoline-3-carbonyl chloride
PubChem CID3022170
Molecular FormulaC17H11Cl2NO2
Molecular Weight332.19 g/mol
Exact Mass331.02
IUPAC Name4-chloro-6-methoxy-2-phenylquinoline-3-carbonyl chloride
SMILESCOc1ccc2nc(-c3ccccc3)c(C(=O)Cl)c(Cl)c2c1
InChIInChI=1S/C17H11Cl2NO2/c1-22-11-7-8-13-12(9-11)15(18)14(17(19)21)16(20-13)10-5-3-2-4-6-10/h2-9H,1H3
InChIKeyPDOQRTWUSCJWFT-UHFFFAOYSA-N
XLogP4.94
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.19
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-chloro-6-methoxy-2-phenylquinoline-3-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

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methoxy-2-phenylquinoline-3-carbonyl chloride?
The IUPAC name of 4-chloro-6-methoxy-2-phenylquinoline-3-carbonyl chloride (CID 3022170) is 4-chloro-6-methoxy-2-phenylquinoline-3-carbonyl chloride.
What is the SMILES notation for 4-chloro-6-methoxy-2-phenylquinoline-3-carbonyl chloride?
The canonical SMILES for 4-chloro-6-methoxy-2-phenylquinoline-3-carbonyl chloride is COc1ccc2nc(-c3ccccc3)c(C(=O)Cl)c(Cl)c2c1.
What is the InChIKey of 4-chloro-6-methoxy-2-phenylquinoline-3-carbonyl chloride?
The InChIKey is PDOQRTWUSCJWFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2NO2/c1-22-11-7-8-13-12(9-11)15(18)14(17(19)21)16(20-13)10-5-3-2-4-6-10/h2-9H,1H3.
What are the key properties of 4-chloro-6-methoxy-2-phenylquinoline-3-carbonyl chloride?
4-chloro-6-methoxy-2-phenylquinoline-3-carbonyl chloride has a molecular weight of 332.19 g/mol, XLogP of 4.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methoxy-2-phenylquinoline-3-carbonyl chloride is sourced from PubChem (CID 3022170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).