6-(3-methoxyphenyl)-7H-[1,3]dioxolo[4,5-g]quinazolin-8-one

C16H12N2O4 — CID 135511101

IUPAC6-(3-methoxyphenyl)-7H-[1,3]dioxolo[4,5-g]quinazolin-8-one
SMILESCOc1cccc(-c2nc3cc4c(cc3c(=O)[nH]2)OCO4)c1
InChIInChI=1S/C16H12N2O4/c1-20-10-4-2-3-9(5-10)15-17-12-7-14-13(21-8-22-14)6-11(12)16(19)18-15/h2-7H,8H2,1H3,(H,17,18,19)
InChIKeyYZSBVZKMWIYWIC-UHFFFAOYSA-N
MW296.28 g/mol
LogP2.33
Rot. Bonds2

About 6-(3-methoxyphenyl)-7H-[1,3]dioxolo[4,5-g]quinazolin-8-one

6-(3-methoxyphenyl)-7H-[1,3]dioxolo[4,5-g]quinazolin-8-one (PubChem CID 135511101) has the molecular formula C16H12N2O4 and a molecular weight of 296.28 g/mol. Its IUPAC name is 6-(3-methoxyphenyl)-7H-[1,3]dioxolo[4,5-g]quinazolin-8-one.

Molecular Properties

Compound Name6-(3-methoxyphenyl)-7H-[1,3]dioxolo[4,5-g]quinazolin-8-one
PubChem CID135511101
Molecular FormulaC16H12N2O4
Molecular Weight296.28 g/mol
Exact Mass296.08
IUPAC Name6-(3-methoxyphenyl)-7H-[1,3]dioxolo[4,5-g]quinazolin-8-one
SMILESCOc1cccc(-c2nc3cc4c(cc3c(=O)[nH]2)OCO4)c1
InChIInChI=1S/C16H12N2O4/c1-20-10-4-2-3-9(5-10)15-17-12-7-14-13(21-8-22-14)6-11(12)16(19)18-15/h2-7H,8H2,1H3,(H,17,18,19)
InChIKeyYZSBVZKMWIYWIC-UHFFFAOYSA-N
XLogP2.33
TPSA73.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxyphenyl)-7H-[1,3]dioxolo[4,5-g]quinazolin-8-one?
The IUPAC name of 6-(3-methoxyphenyl)-7H-[1,3]dioxolo[4,5-g]quinazolin-8-one (CID 135511101) is 6-(3-methoxyphenyl)-7H-[1,3]dioxolo[4,5-g]quinazolin-8-one.
What is the SMILES notation for 6-(3-methoxyphenyl)-7H-[1,3]dioxolo[4,5-g]quinazolin-8-one?
The canonical SMILES for 6-(3-methoxyphenyl)-7H-[1,3]dioxolo[4,5-g]quinazolin-8-one is COc1cccc(-c2nc3cc4c(cc3c(=O)[nH]2)OCO4)c1.
What is the InChIKey of 6-(3-methoxyphenyl)-7H-[1,3]dioxolo[4,5-g]quinazolin-8-one?
The InChIKey is YZSBVZKMWIYWIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O4/c1-20-10-4-2-3-9(5-10)15-17-12-7-14-13(21-8-22-14)6-11(12)16(19)18-15/h2-7H,8H2,1H3,(H,17,18,19).
What are the key properties of 6-(3-methoxyphenyl)-7H-[1,3]dioxolo[4,5-g]quinazolin-8-one?
6-(3-methoxyphenyl)-7H-[1,3]dioxolo[4,5-g]quinazolin-8-one has a molecular weight of 296.28 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxyphenyl)-7H-[1,3]dioxolo[4,5-g]quinazolin-8-one is sourced from PubChem (CID 135511101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).