2-chloro-6-methoxy-3-phenylquinoline

C16H12ClNO — CID 5329279

IUPAC2-chloro-6-methoxy-3-phenylquinoline
SMILESCOc1ccc2nc(Cl)c(-c3ccccc3)cc2c1
InChIInChI=1S/C16H12ClNO/c1-19-13-7-8-15-12(9-13)10-14(16(17)18-15)11-5-3-2-4-6-11/h2-10H,1H3
InChIKeyGGBHOBDCDNXFFD-UHFFFAOYSA-N
MW269.73 g/mol
LogP4.56
Rot. Bonds2

About 2-chloro-6-methoxy-3-phenylquinoline

2-chloro-6-methoxy-3-phenylquinoline (PubChem CID 5329279) has the molecular formula C16H12ClNO and a molecular weight of 269.73 g/mol. Its IUPAC name is 2-chloro-6-methoxy-3-phenylquinoline.

Molecular Properties

Compound Name2-chloro-6-methoxy-3-phenylquinoline
PubChem CID5329279
Molecular FormulaC16H12ClNO
Molecular Weight269.73 g/mol
Exact Mass269.06
IUPAC Name2-chloro-6-methoxy-3-phenylquinoline
SMILESCOc1ccc2nc(Cl)c(-c3ccccc3)cc2c1
InChIInChI=1S/C16H12ClNO/c1-19-13-7-8-15-12(9-13)10-14(16(17)18-15)11-5-3-2-4-6-11/h2-10H,1H3
InChIKeyGGBHOBDCDNXFFD-UHFFFAOYSA-N
XLogP4.56
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-methoxy-3-phenylquinoline?
The IUPAC name of 2-chloro-6-methoxy-3-phenylquinoline (CID 5329279) is 2-chloro-6-methoxy-3-phenylquinoline.
What is the SMILES notation for 2-chloro-6-methoxy-3-phenylquinoline?
The canonical SMILES for 2-chloro-6-methoxy-3-phenylquinoline is COc1ccc2nc(Cl)c(-c3ccccc3)cc2c1.
What is the InChIKey of 2-chloro-6-methoxy-3-phenylquinoline?
The InChIKey is GGBHOBDCDNXFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNO/c1-19-13-7-8-15-12(9-13)10-14(16(17)18-15)11-5-3-2-4-6-11/h2-10H,1H3.
What are the key properties of 2-chloro-6-methoxy-3-phenylquinoline?
2-chloro-6-methoxy-3-phenylquinoline has a molecular weight of 269.73 g/mol, XLogP of 4.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methoxy-3-phenylquinoline is sourced from PubChem (CID 5329279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).