5,6,7-trimethoxy-1-phenylisoquinoline

C18H17NO3 — CID 134913791

IUPAC5,6,7-trimethoxy-1-phenylisoquinoline
SMILESCOc1cc2c(-c3ccccc3)nccc2c(OC)c1OC
InChIInChI=1S/C18H17NO3/c1-20-15-11-14-13(17(21-2)18(15)22-3)9-10-19-16(14)12-7-5-4-6-8-12/h4-11H,1-3H3
InChIKeyXYUKNHJZMRPNPM-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.93
Rot. Bonds4

About 5,6,7-trimethoxy-1-phenylisoquinoline

5,6,7-trimethoxy-1-phenylisoquinoline (PubChem CID 134913791) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is 5,6,7-trimethoxy-1-phenylisoquinoline.

Molecular Properties

Compound Name5,6,7-trimethoxy-1-phenylisoquinoline
PubChem CID134913791
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Name5,6,7-trimethoxy-1-phenylisoquinoline
SMILESCOc1cc2c(-c3ccccc3)nccc2c(OC)c1OC
InChIInChI=1S/C18H17NO3/c1-20-15-11-14-13(17(21-2)18(15)22-3)9-10-19-16(14)12-7-5-4-6-8-12/h4-11H,1-3H3
InChIKeyXYUKNHJZMRPNPM-UHFFFAOYSA-N
XLogP3.93
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7,8-dimethoxy-1-phenylisoquinoline
CID 134913622
5,6,7-trimethoxyisoquinoline-1-carbonitrile
CID 13311471
2-(3-methoxy-2-phenyl-4-pyridinyl)acetonitrile
CID 133095599
2-(3-methoxy-2-phenyl-4-pyridinyl)acetic acid
CID 133095598
7-methoxy-1-phenylisoquinoline
CID 86087026
6,7,8,11,12,13-hexamethoxy-2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene
CID 139055544
6,7-dimethoxy-1-(4-methoxyphenyl)isoquinoline
CID 50923051
6,7-dimethoxy-1-(4-methylphenyl)isoquinoline
CID 46915406
(S)-(4-methoxyphenyl)-(5,6,7-trimethoxyisoquinolin-1-yl)methanol
CID 162657764
1,2,3-trimethoxy-4-phenoxy-5-(3-phenylphenyl)benzene
CID 173325134
6,7-dimethoxy-2,3-diphenylquinoxaline
CID 1236458
5,6,8-trimethoxyisoquinoline
CID 15715766

Frequently Asked Questions

What is the IUPAC name of 5,6,7-trimethoxy-1-phenylisoquinoline?
The IUPAC name of 5,6,7-trimethoxy-1-phenylisoquinoline (CID 134913791) is 5,6,7-trimethoxy-1-phenylisoquinoline.
What is the SMILES notation for 5,6,7-trimethoxy-1-phenylisoquinoline?
The canonical SMILES for 5,6,7-trimethoxy-1-phenylisoquinoline is COc1cc2c(-c3ccccc3)nccc2c(OC)c1OC.
What is the InChIKey of 5,6,7-trimethoxy-1-phenylisoquinoline?
The InChIKey is XYUKNHJZMRPNPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3/c1-20-15-11-14-13(17(21-2)18(15)22-3)9-10-19-16(14)12-7-5-4-6-8-12/h4-11H,1-3H3.
What are the key properties of 5,6,7-trimethoxy-1-phenylisoquinoline?
5,6,7-trimethoxy-1-phenylisoquinoline has a molecular weight of 295.34 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7-trimethoxy-1-phenylisoquinoline is sourced from PubChem (CID 134913791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).