4-methoxy-2-phenylquinoline

C16H13NO — CID 826247

IUPAC4-methoxy-2-phenylquinoline
SMILESCOc1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C16H13NO/c1-18-16-11-15(12-7-3-2-4-8-12)17-14-10-6-5-9-13(14)16/h2-11H,1H3
InChIKeyCVJHRDUVYHASOG-UHFFFAOYSA-N
MW235.29 g/mol
LogP3.91
Rot. Bonds2

About 4-methoxy-2-phenylquinoline

4-methoxy-2-phenylquinoline (PubChem CID 826247) has the molecular formula C16H13NO and a molecular weight of 235.29 g/mol. Its IUPAC name is 4-methoxy-2-phenylquinoline.

Molecular Properties

Compound Name4-methoxy-2-phenylquinoline
PubChem CID826247
Molecular FormulaC16H13NO
Molecular Weight235.29 g/mol
Exact Mass235.10
IUPAC Name4-methoxy-2-phenylquinoline
SMILESCOc1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C16H13NO/c1-18-16-11-15(12-7-3-2-4-8-12)17-14-10-6-5-9-13(14)16/h2-11H,1H3
InChIKeyCVJHRDUVYHASOG-UHFFFAOYSA-N
XLogP3.91
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-phenylquinoline?
The IUPAC name of 4-methoxy-2-phenylquinoline (CID 826247) is 4-methoxy-2-phenylquinoline.
What is the SMILES notation for 4-methoxy-2-phenylquinoline?
The canonical SMILES for 4-methoxy-2-phenylquinoline is COc1cc(-c2ccccc2)nc2ccccc12.
What is the InChIKey of 4-methoxy-2-phenylquinoline?
The InChIKey is CVJHRDUVYHASOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO/c1-18-16-11-15(12-7-3-2-4-8-12)17-14-10-6-5-9-13(14)16/h2-11H,1H3.
What are the key properties of 4-methoxy-2-phenylquinoline?
4-methoxy-2-phenylquinoline has a molecular weight of 235.29 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-phenylquinoline is sourced from PubChem (CID 826247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).