7-methoxy-1-(3,4,5-trimethoxyphenyl)isoquinoline

C19H19NO4 — CID 146562808

IUPAC7-methoxy-1-(3,4,5-trimethoxyphenyl)isoquinoline
SMILESCOc1ccc2ccnc(-c3cc(OC)c(OC)c(OC)c3)c2c1
InChIInChI=1S/C19H19NO4/c1-21-14-6-5-12-7-8-20-18(15(12)11-14)13-9-16(22-2)19(24-4)17(10-13)23-3/h5-11H,1-4H3
InChIKeyWBJCFKQIRYVJDN-UHFFFAOYSA-N
MW325.36 g/mol
LogP3.94
Rot. Bonds5

About 7-methoxy-1-(3,4,5-trimethoxyphenyl)isoquinoline

7-methoxy-1-(3,4,5-trimethoxyphenyl)isoquinoline (PubChem CID 146562808) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is 7-methoxy-1-(3,4,5-trimethoxyphenyl)isoquinoline.

Molecular Properties

Compound Name7-methoxy-1-(3,4,5-trimethoxyphenyl)isoquinoline
PubChem CID146562808
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Name7-methoxy-1-(3,4,5-trimethoxyphenyl)isoquinoline
SMILESCOc1ccc2ccnc(-c3cc(OC)c(OC)c(OC)c3)c2c1
InChIInChI=1S/C19H19NO4/c1-21-14-6-5-12-7-8-20-18(15(12)11-14)13-9-16(22-2)19(24-4)17(10-13)23-3/h5-11H,1-4H3
InChIKeyWBJCFKQIRYVJDN-UHFFFAOYSA-N
XLogP3.94
TPSA49.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1-(3,4,5-trimethoxyphenyl)isoquinoline?
The IUPAC name of 7-methoxy-1-(3,4,5-trimethoxyphenyl)isoquinoline (CID 146562808) is 7-methoxy-1-(3,4,5-trimethoxyphenyl)isoquinoline.
What is the SMILES notation for 7-methoxy-1-(3,4,5-trimethoxyphenyl)isoquinoline?
The canonical SMILES for 7-methoxy-1-(3,4,5-trimethoxyphenyl)isoquinoline is COc1ccc2ccnc(-c3cc(OC)c(OC)c(OC)c3)c2c1.
What is the InChIKey of 7-methoxy-1-(3,4,5-trimethoxyphenyl)isoquinoline?
The InChIKey is WBJCFKQIRYVJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4/c1-21-14-6-5-12-7-8-20-18(15(12)11-14)13-9-16(22-2)19(24-4)17(10-13)23-3/h5-11H,1-4H3.
What are the key properties of 7-methoxy-1-(3,4,5-trimethoxyphenyl)isoquinoline?
7-methoxy-1-(3,4,5-trimethoxyphenyl)isoquinoline has a molecular weight of 325.36 g/mol, XLogP of 3.94, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1-(3,4,5-trimethoxyphenyl)isoquinoline is sourced from PubChem (CID 146562808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).