7-(4-methoxyphenyl)-[1,3]dioxolo[4,5-g]isoquinoline

C17H13NO3 — CID 25058392

IUPAC7-(4-methoxyphenyl)-[1,3]dioxolo[4,5-g]isoquinoline
SMILESCOc1ccc(-c2cc3cc4c(cc3cn2)OCO4)cc1
InChIInChI=1S/C17H13NO3/c1-19-14-4-2-11(3-5-14)15-6-12-7-16-17(21-10-20-16)8-13(12)9-18-15/h2-9H,10H2,1H3
InChIKeyBIAWRQJFFNQNFC-UHFFFAOYSA-N
MW279.30 g/mol
LogP3.64
Rot. Bonds2

About 7-(4-methoxyphenyl)-[1,3]dioxolo[4,5-g]isoquinoline

7-(4-methoxyphenyl)-[1,3]dioxolo[4,5-g]isoquinoline (PubChem CID 25058392) has the molecular formula C17H13NO3 and a molecular weight of 279.30 g/mol. Its IUPAC name is 7-(4-methoxyphenyl)-[1,3]dioxolo[4,5-g]isoquinoline.

Molecular Properties

Compound Name7-(4-methoxyphenyl)-[1,3]dioxolo[4,5-g]isoquinoline
PubChem CID25058392
Molecular FormulaC17H13NO3
Molecular Weight279.30 g/mol
Exact Mass279.09
IUPAC Name7-(4-methoxyphenyl)-[1,3]dioxolo[4,5-g]isoquinoline
SMILESCOc1ccc(-c2cc3cc4c(cc3cn2)OCO4)cc1
InChIInChI=1S/C17H13NO3/c1-19-14-4-2-11(3-5-14)15-6-12-7-16-17(21-10-20-16)8-13(12)9-18-15/h2-9H,10H2,1H3
InChIKeyBIAWRQJFFNQNFC-UHFFFAOYSA-N
XLogP3.64
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(4-methoxyphenyl)-[1,3]dioxolo[4,5-g]isoquinoline?
The IUPAC name of 7-(4-methoxyphenyl)-[1,3]dioxolo[4,5-g]isoquinoline (CID 25058392) is 7-(4-methoxyphenyl)-[1,3]dioxolo[4,5-g]isoquinoline.
What is the SMILES notation for 7-(4-methoxyphenyl)-[1,3]dioxolo[4,5-g]isoquinoline?
The canonical SMILES for 7-(4-methoxyphenyl)-[1,3]dioxolo[4,5-g]isoquinoline is COc1ccc(-c2cc3cc4c(cc3cn2)OCO4)cc1.
What is the InChIKey of 7-(4-methoxyphenyl)-[1,3]dioxolo[4,5-g]isoquinoline?
The InChIKey is BIAWRQJFFNQNFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO3/c1-19-14-4-2-11(3-5-14)15-6-12-7-16-17(21-10-20-16)8-13(12)9-18-15/h2-9H,10H2,1H3.
What are the key properties of 7-(4-methoxyphenyl)-[1,3]dioxolo[4,5-g]isoquinoline?
7-(4-methoxyphenyl)-[1,3]dioxolo[4,5-g]isoquinoline has a molecular weight of 279.30 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methoxyphenyl)-[1,3]dioxolo[4,5-g]isoquinoline is sourced from PubChem (CID 25058392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).