6,7-dimethoxy-3-(4-methoxy-3-methylphenyl)quinoline

C19H19NO3 — CID 10018196

IUPAC6,7-dimethoxy-3-(4-methoxy-3-methylphenyl)quinoline
SMILESCOc1ccc(-c2cnc3cc(OC)c(OC)cc3c2)cc1C
InChIInChI=1S/C19H19NO3/c1-12-7-13(5-6-17(12)21-2)15-8-14-9-18(22-3)19(23-4)10-16(14)20-11-15/h5-11H,1-4H3
InChIKeyOFCCYIXNIASORJ-UHFFFAOYSA-N
MW309.37 g/mol
LogP4.24
Rot. Bonds4

About 6,7-dimethoxy-3-(4-methoxy-3-methylphenyl)quinoline

6,7-dimethoxy-3-(4-methoxy-3-methylphenyl)quinoline (PubChem CID 10018196) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is 6,7-dimethoxy-3-(4-methoxy-3-methylphenyl)quinoline.

Molecular Properties

Compound Name6,7-dimethoxy-3-(4-methoxy-3-methylphenyl)quinoline
PubChem CID10018196
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Name6,7-dimethoxy-3-(4-methoxy-3-methylphenyl)quinoline
SMILESCOc1ccc(-c2cnc3cc(OC)c(OC)cc3c2)cc1C
InChIInChI=1S/C19H19NO3/c1-12-7-13(5-6-17(12)21-2)15-8-14-9-18(22-3)19(23-4)10-16(14)20-11-15/h5-11H,1-4H3
InChIKeyOFCCYIXNIASORJ-UHFFFAOYSA-N
XLogP4.24
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-3-(4-methoxy-3-methylphenyl)quinoline?
The IUPAC name of 6,7-dimethoxy-3-(4-methoxy-3-methylphenyl)quinoline (CID 10018196) is 6,7-dimethoxy-3-(4-methoxy-3-methylphenyl)quinoline.
What is the SMILES notation for 6,7-dimethoxy-3-(4-methoxy-3-methylphenyl)quinoline?
The canonical SMILES for 6,7-dimethoxy-3-(4-methoxy-3-methylphenyl)quinoline is COc1ccc(-c2cnc3cc(OC)c(OC)cc3c2)cc1C.
What is the InChIKey of 6,7-dimethoxy-3-(4-methoxy-3-methylphenyl)quinoline?
The InChIKey is OFCCYIXNIASORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3/c1-12-7-13(5-6-17(12)21-2)15-8-14-9-18(22-3)19(23-4)10-16(14)20-11-15/h5-11H,1-4H3.
What are the key properties of 6,7-dimethoxy-3-(4-methoxy-3-methylphenyl)quinoline?
6,7-dimethoxy-3-(4-methoxy-3-methylphenyl)quinoline has a molecular weight of 309.37 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-3-(4-methoxy-3-methylphenyl)quinoline is sourced from PubChem (CID 10018196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).