6,7-dimethoxy-3-(4-methoxyphenyl)quinazolin-4-one

C17H16N2O4 — CID 118722445

IUPAC6,7-dimethoxy-3-(4-methoxyphenyl)quinazolin-4-one
SMILESCOc1ccc(-n2cnc3cc(OC)c(OC)cc3c2=O)cc1
InChIInChI=1S/C17H16N2O4/c1-21-12-6-4-11(5-7-12)19-10-18-14-9-16(23-3)15(22-2)8-13(14)17(19)20/h4-10H,1-3H3
InChIKeyYZHWOFXIYNMENL-UHFFFAOYSA-N
MW312.33 g/mol
LogP2.41
Rot. Bonds4

About 6,7-dimethoxy-3-(4-methoxyphenyl)quinazolin-4-one

6,7-dimethoxy-3-(4-methoxyphenyl)quinazolin-4-one (PubChem CID 118722445) has the molecular formula C17H16N2O4 and a molecular weight of 312.33 g/mol. Its IUPAC name is 6,7-dimethoxy-3-(4-methoxyphenyl)quinazolin-4-one.

Molecular Properties

Compound Name6,7-dimethoxy-3-(4-methoxyphenyl)quinazolin-4-one
PubChem CID118722445
Molecular FormulaC17H16N2O4
Molecular Weight312.33 g/mol
Exact Mass312.11
IUPAC Name6,7-dimethoxy-3-(4-methoxyphenyl)quinazolin-4-one
SMILESCOc1ccc(-n2cnc3cc(OC)c(OC)cc3c2=O)cc1
InChIInChI=1S/C17H16N2O4/c1-21-12-6-4-11(5-7-12)19-10-18-14-9-16(23-3)15(22-2)8-13(14)17(19)20/h4-10H,1-3H3
InChIKeyYZHWOFXIYNMENL-UHFFFAOYSA-N
XLogP2.41
TPSA62.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-3-(4-methoxyphenyl)quinazolin-4-one?
The IUPAC name of 6,7-dimethoxy-3-(4-methoxyphenyl)quinazolin-4-one (CID 118722445) is 6,7-dimethoxy-3-(4-methoxyphenyl)quinazolin-4-one.
What is the SMILES notation for 6,7-dimethoxy-3-(4-methoxyphenyl)quinazolin-4-one?
The canonical SMILES for 6,7-dimethoxy-3-(4-methoxyphenyl)quinazolin-4-one is COc1ccc(-n2cnc3cc(OC)c(OC)cc3c2=O)cc1.
What is the InChIKey of 6,7-dimethoxy-3-(4-methoxyphenyl)quinazolin-4-one?
The InChIKey is YZHWOFXIYNMENL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4/c1-21-12-6-4-11(5-7-12)19-10-18-14-9-16(23-3)15(22-2)8-13(14)17(19)20/h4-10H,1-3H3.
What are the key properties of 6,7-dimethoxy-3-(4-methoxyphenyl)quinazolin-4-one?
6,7-dimethoxy-3-(4-methoxyphenyl)quinazolin-4-one has a molecular weight of 312.33 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-3-(4-methoxyphenyl)quinazolin-4-one is sourced from PubChem (CID 118722445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).