1-ethenyl-6,7-dimethoxy-3-phenylisoquinoline

C19H17NO2 — CID 134913602

IUPAC1-ethenyl-6,7-dimethoxy-3-phenylisoquinoline
SMILESC=Cc1nc(-c2ccccc2)cc2cc(OC)c(OC)cc12
InChIInChI=1S/C19H17NO2/c1-4-16-15-12-19(22-3)18(21-2)11-14(15)10-17(20-16)13-8-6-5-7-9-13/h4-12H,1H2,2-3H3
InChIKeyRAVBQHPYFZNCDH-UHFFFAOYSA-N
MW291.35 g/mol
LogP4.56
Rot. Bonds4

About 1-ethenyl-6,7-dimethoxy-3-phenylisoquinoline

1-ethenyl-6,7-dimethoxy-3-phenylisoquinoline (PubChem CID 134913602) has the molecular formula C19H17NO2 and a molecular weight of 291.35 g/mol. Its IUPAC name is 1-ethenyl-6,7-dimethoxy-3-phenylisoquinoline.

Molecular Properties

Compound Name1-ethenyl-6,7-dimethoxy-3-phenylisoquinoline
PubChem CID134913602
Molecular FormulaC19H17NO2
Molecular Weight291.35 g/mol
Exact Mass291.13
IUPAC Name1-ethenyl-6,7-dimethoxy-3-phenylisoquinoline
SMILESC=Cc1nc(-c2ccccc2)cc2cc(OC)c(OC)cc12
InChIInChI=1S/C19H17NO2/c1-4-16-15-12-19(22-3)18(21-2)11-14(15)10-17(20-16)13-8-6-5-7-9-13/h4-12H,1H2,2-3H3
InChIKeyRAVBQHPYFZNCDH-UHFFFAOYSA-N
XLogP4.56
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[6,7-dimethoxy-3-(3-phenylphenyl)isoquinolin-1-yl]ethanamine
CID 71450679
6,7-dimethoxy-2,3-diphenylquinoxaline
CID 1236458
1-(2-chlorophenyl)-6,7-dimethoxy-3-(4-methoxyphenyl)isoquinoline
CID 1351974
6,7-dimethoxy-1,4-diphenylnaphthalene
CID 134090814
4-chloro-5,7-dimethoxy-2-phenylquinoline
CID 43668662
4,7,8-trimethoxy-2-phenylquinoline
CID 20743676
5-ethyl-4-methoxy-2-phenylquinoline
CID 10400536
2-bromo-3-methoxy-6-phenylpyridine
CID 10869126
2-phenylquinoline-4-carboxylic acid;prop-1-ene
CID 143187114
2-azulen-2-yl-6,7-dimethoxyquinoline
CID 10591430
6-(2-ethenyl-4,5-dimethoxyphenyl)-2-phenylpyrimidin-4-amine
CID 15635121
1-[4-(6,7-dimethoxy-1-methylisoquinolin-3-yl)phenyl]ethanone
CID 143741295

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-6,7-dimethoxy-3-phenylisoquinoline?
The IUPAC name of 1-ethenyl-6,7-dimethoxy-3-phenylisoquinoline (CID 134913602) is 1-ethenyl-6,7-dimethoxy-3-phenylisoquinoline.
What is the SMILES notation for 1-ethenyl-6,7-dimethoxy-3-phenylisoquinoline?
The canonical SMILES for 1-ethenyl-6,7-dimethoxy-3-phenylisoquinoline is C=Cc1nc(-c2ccccc2)cc2cc(OC)c(OC)cc12.
What is the InChIKey of 1-ethenyl-6,7-dimethoxy-3-phenylisoquinoline?
The InChIKey is RAVBQHPYFZNCDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO2/c1-4-16-15-12-19(22-3)18(21-2)11-14(15)10-17(20-16)13-8-6-5-7-9-13/h4-12H,1H2,2-3H3.
What are the key properties of 1-ethenyl-6,7-dimethoxy-3-phenylisoquinoline?
1-ethenyl-6,7-dimethoxy-3-phenylisoquinoline has a molecular weight of 291.35 g/mol, XLogP of 4.56, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-6,7-dimethoxy-3-phenylisoquinoline is sourced from PubChem (CID 134913602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).