2-chloro-6,7-dimethoxy-3-phenylquinoline

C17H14ClNO2 — CID 2794462

IUPAC2-chloro-6,7-dimethoxy-3-phenylquinoline
SMILESCOc1cc2cc(-c3ccccc3)c(Cl)nc2cc1OC
InChIInChI=1S/C17H14ClNO2/c1-20-15-9-12-8-13(11-6-4-3-5-7-11)17(18)19-14(12)10-16(15)21-2/h3-10H,1-2H3
InChIKeyJOYQLLBQXFUCSK-UHFFFAOYSA-N
MW299.76 g/mol
LogP4.57
Rot. Bonds3

About 2-chloro-6,7-dimethoxy-3-phenylquinoline

2-chloro-6,7-dimethoxy-3-phenylquinoline (PubChem CID 2794462) has the molecular formula C17H14ClNO2 and a molecular weight of 299.76 g/mol. Its IUPAC name is 2-chloro-6,7-dimethoxy-3-phenylquinoline.

Molecular Properties

Compound Name2-chloro-6,7-dimethoxy-3-phenylquinoline
PubChem CID2794462
Molecular FormulaC17H14ClNO2
Molecular Weight299.76 g/mol
Exact Mass299.07
IUPAC Name2-chloro-6,7-dimethoxy-3-phenylquinoline
SMILESCOc1cc2cc(-c3ccccc3)c(Cl)nc2cc1OC
InChIInChI=1S/C17H14ClNO2/c1-20-15-9-12-8-13(11-6-4-3-5-7-11)17(18)19-14(12)10-16(15)21-2/h3-10H,1-2H3
InChIKeyJOYQLLBQXFUCSK-UHFFFAOYSA-N
XLogP4.57
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6,7-dimethoxy-3-phenylquinoline?
The IUPAC name of 2-chloro-6,7-dimethoxy-3-phenylquinoline (CID 2794462) is 2-chloro-6,7-dimethoxy-3-phenylquinoline.
What is the SMILES notation for 2-chloro-6,7-dimethoxy-3-phenylquinoline?
The canonical SMILES for 2-chloro-6,7-dimethoxy-3-phenylquinoline is COc1cc2cc(-c3ccccc3)c(Cl)nc2cc1OC.
What is the InChIKey of 2-chloro-6,7-dimethoxy-3-phenylquinoline?
The InChIKey is JOYQLLBQXFUCSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO2/c1-20-15-9-12-8-13(11-6-4-3-5-7-11)17(18)19-14(12)10-16(15)21-2/h3-10H,1-2H3.
What are the key properties of 2-chloro-6,7-dimethoxy-3-phenylquinoline?
2-chloro-6,7-dimethoxy-3-phenylquinoline has a molecular weight of 299.76 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6,7-dimethoxy-3-phenylquinoline is sourced from PubChem (CID 2794462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).