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

C18H17NO2 — CID 10401378

IUPAC6,7-dimethoxy-3-(4-methylphenyl)quinoline
SMILESCOc1cc2cc(-c3ccc(C)cc3)cnc2cc1OC
InChIInChI=1S/C18H17NO2/c1-12-4-6-13(7-5-12)15-8-14-9-17(20-2)18(21-3)10-16(14)19-11-15/h4-11H,1-3H3
InChIKeyCMEIVVNDSVPQKC-UHFFFAOYSA-N
MW279.34 g/mol
LogP4.23
Rot. Bonds3

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

6,7-dimethoxy-3-(4-methylphenyl)quinoline (PubChem CID 10401378) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 6,7-dimethoxy-3-(4-methylphenyl)quinoline.

Molecular Properties

Compound Name6,7-dimethoxy-3-(4-methylphenyl)quinoline
PubChem CID10401378
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Name6,7-dimethoxy-3-(4-methylphenyl)quinoline
SMILESCOc1cc2cc(-c3ccc(C)cc3)cnc2cc1OC
InChIInChI=1S/C18H17NO2/c1-12-4-6-13(7-5-12)15-8-14-9-17(20-2)18(21-3)10-16(14)19-11-15/h4-11H,1-3H3
InChIKeyCMEIVVNDSVPQKC-UHFFFAOYSA-N
XLogP4.23
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Papaverine
CID 4680
Berberine
CID 2353
Berberine chloride
CID 12456
Papaverine Hydrochloride
CID 6084
Sitamaquine
CID 42548
Ethaverine
CID 3280
Ethaverine Hydrochloride
CID 5702159
Palmatine
CID 19009
Moxaverine
CID 70882
Oxypertine
CID 4640
Chelerythrine
CID 2703
Columbamine
CID 72310

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-3-(4-methylphenyl)quinoline?
The IUPAC name of 6,7-dimethoxy-3-(4-methylphenyl)quinoline (CID 10401378) is 6,7-dimethoxy-3-(4-methylphenyl)quinoline.
What is the SMILES notation for 6,7-dimethoxy-3-(4-methylphenyl)quinoline?
The canonical SMILES for 6,7-dimethoxy-3-(4-methylphenyl)quinoline is COc1cc2cc(-c3ccc(C)cc3)cnc2cc1OC.
What is the InChIKey of 6,7-dimethoxy-3-(4-methylphenyl)quinoline?
The InChIKey is CMEIVVNDSVPQKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2/c1-12-4-6-13(7-5-12)15-8-14-9-17(20-2)18(21-3)10-16(14)19-11-15/h4-11H,1-3H3.
What are the key properties of 6,7-dimethoxy-3-(4-methylphenyl)quinoline?
6,7-dimethoxy-3-(4-methylphenyl)quinoline has a molecular weight of 279.34 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-3-(4-methylphenyl)quinoline is sourced from PubChem (CID 10401378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).