6,7-dimethoxy-3-phenylmethoxyquinoline

C18H17NO3 — CID 10085863

IUPAC6,7-dimethoxy-3-phenylmethoxyquinoline
SMILESCOc1cc2cc(OCc3ccccc3)cnc2cc1OC
InChIInChI=1S/C18H17NO3/c1-20-17-9-14-8-15(11-19-16(14)10-18(17)21-2)22-12-13-6-4-3-5-7-13/h3-11H,12H2,1-2H3
InChIKeyZJIOVLLLFWQBKA-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.83
Rot. Bonds5

About 6,7-dimethoxy-3-phenylmethoxyquinoline

6,7-dimethoxy-3-phenylmethoxyquinoline (PubChem CID 10085863) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is 6,7-dimethoxy-3-phenylmethoxyquinoline.

Molecular Properties

Compound Name6,7-dimethoxy-3-phenylmethoxyquinoline
PubChem CID10085863
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Name6,7-dimethoxy-3-phenylmethoxyquinoline
SMILESCOc1cc2cc(OCc3ccccc3)cnc2cc1OC
InChIInChI=1S/C18H17NO3/c1-20-17-9-14-8-15(11-19-16(14)10-18(17)21-2)22-12-13-6-4-3-5-7-13/h3-11H,12H2,1-2H3
InChIKeyZJIOVLLLFWQBKA-UHFFFAOYSA-N
XLogP3.83
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6,7-dimethoxy-3-phenylmethoxyquinoline 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 6,7-dimethoxy-3-phenylmethoxyquinoline?
The IUPAC name of 6,7-dimethoxy-3-phenylmethoxyquinoline (CID 10085863) is 6,7-dimethoxy-3-phenylmethoxyquinoline.
What is the SMILES notation for 6,7-dimethoxy-3-phenylmethoxyquinoline?
The canonical SMILES for 6,7-dimethoxy-3-phenylmethoxyquinoline is COc1cc2cc(OCc3ccccc3)cnc2cc1OC.
What is the InChIKey of 6,7-dimethoxy-3-phenylmethoxyquinoline?
The InChIKey is ZJIOVLLLFWQBKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3/c1-20-17-9-14-8-15(11-19-16(14)10-18(17)21-2)22-12-13-6-4-3-5-7-13/h3-11H,12H2,1-2H3.
What are the key properties of 6,7-dimethoxy-3-phenylmethoxyquinoline?
6,7-dimethoxy-3-phenylmethoxyquinoline has a molecular weight of 295.34 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-3-phenylmethoxyquinoline is sourced from PubChem (CID 10085863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).