6,7-dimethoxy-1-(4-methylphenyl)isoquinoline

C18H17NO2 — CID 46915406

IUPAC6,7-dimethoxy-1-(4-methylphenyl)isoquinoline
SMILESCOc1cc2ccnc(-c3ccc(C)cc3)c2cc1OC
InChIInChI=1S/C18H17NO2/c1-12-4-6-13(7-5-12)18-15-11-17(21-3)16(20-2)10-14(15)8-9-19-18/h4-11H,1-3H3
InChIKeyZQSRGLJCBWCGCG-UHFFFAOYSA-N
MW279.34 g/mol
LogP4.23
Rot. Bonds3

About 6,7-dimethoxy-1-(4-methylphenyl)isoquinoline

6,7-dimethoxy-1-(4-methylphenyl)isoquinoline (PubChem CID 46915406) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 6,7-dimethoxy-1-(4-methylphenyl)isoquinoline.

Molecular Properties

Compound Name6,7-dimethoxy-1-(4-methylphenyl)isoquinoline
PubChem CID46915406
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Name6,7-dimethoxy-1-(4-methylphenyl)isoquinoline
SMILESCOc1cc2ccnc(-c3ccc(C)cc3)c2cc1OC
InChIInChI=1S/C18H17NO2/c1-12-4-6-13(7-5-12)18-15-11-17(21-3)16(20-2)10-14(15)8-9-19-18/h4-11H,1-3H3
InChIKeyZQSRGLJCBWCGCG-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

6,7-dimethoxy-1-(4-methoxyphenyl)isoquinoline
CID 50923051
6,7-dimethoxy-1-methylisoquinoline
CID 20725
1-(2,3-dimethoxyphenyl)-6,7-dimethoxyisoquinoline;hydrochloride
CID 3029064
1-(6,7-dimethoxyisoquinolin-1-yl)-6,7-dimethoxyisoquinoline;1H-imidazole
CID 118421351
1-[2-[[2-(6,7-dimethoxyisoquinolin-1-yl)phenyl]disulfanyl]phenyl]-6,7-dimethoxyisoquinoline
CID 54476721
1-(4-bromophenyl)-7-methylisoquinoline
CID 151267049
1-(3,4-diethoxyphenyl)-6,7-diethoxyisoquinoline;hydrochloride
CID 138397344
2-(6,7-dimethoxyisoquinolin-1-yl)benzoic acid
CID 71518068
(6,7-dimethoxyisoquinolin-1-yl)hydrazine
CID 103840464
2-(6,7-dimethoxyisoquinolin-1-yl)propan-2-amine
CID 116995177
6,7-dimethoxy-1-(2-nitrophenyl)isoquinoline
CID 10781241
1-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-6,7-dimethoxyisoquinoline
CID 44817458

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-1-(4-methylphenyl)isoquinoline?
The IUPAC name of 6,7-dimethoxy-1-(4-methylphenyl)isoquinoline (CID 46915406) is 6,7-dimethoxy-1-(4-methylphenyl)isoquinoline.
What is the SMILES notation for 6,7-dimethoxy-1-(4-methylphenyl)isoquinoline?
The canonical SMILES for 6,7-dimethoxy-1-(4-methylphenyl)isoquinoline is COc1cc2ccnc(-c3ccc(C)cc3)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-1-(4-methylphenyl)isoquinoline?
The InChIKey is ZQSRGLJCBWCGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2/c1-12-4-6-13(7-5-12)18-15-11-17(21-3)16(20-2)10-14(15)8-9-19-18/h4-11H,1-3H3.
What are the key properties of 6,7-dimethoxy-1-(4-methylphenyl)isoquinoline?
6,7-dimethoxy-1-(4-methylphenyl)isoquinoline 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-1-(4-methylphenyl)isoquinoline is sourced from PubChem (CID 46915406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).