6,7-dimethoxy-2-(3-methoxyphenyl)-3H-quinazolin-4-one

C17H16N2O4 — CID 135511100

IUPAC6,7-dimethoxy-2-(3-methoxyphenyl)-3H-quinazolin-4-one
SMILESCOc1cccc(-c2nc3cc(OC)c(OC)cc3c(=O)[nH]2)c1
InChIInChI=1S/C17H16N2O4/c1-21-11-6-4-5-10(7-11)16-18-13-9-15(23-3)14(22-2)8-12(13)17(20)19-16/h4-9H,1-3H3,(H,18,19,20)
InChIKeyJEYBXGNYMWTZMF-UHFFFAOYSA-N
MW312.33 g/mol
LogP2.62
Rot. Bonds4

About 6,7-dimethoxy-2-(3-methoxyphenyl)-3H-quinazolin-4-one

6,7-dimethoxy-2-(3-methoxyphenyl)-3H-quinazolin-4-one (PubChem CID 135511100) has the molecular formula C17H16N2O4 and a molecular weight of 312.33 g/mol. Its IUPAC name is 6,7-dimethoxy-2-(3-methoxyphenyl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name6,7-dimethoxy-2-(3-methoxyphenyl)-3H-quinazolin-4-one
PubChem CID135511100
Molecular FormulaC17H16N2O4
Molecular Weight312.33 g/mol
Exact Mass312.11
IUPAC Name6,7-dimethoxy-2-(3-methoxyphenyl)-3H-quinazolin-4-one
SMILESCOc1cccc(-c2nc3cc(OC)c(OC)cc3c(=O)[nH]2)c1
InChIInChI=1S/C17H16N2O4/c1-21-11-6-4-5-10(7-11)16-18-13-9-15(23-3)14(22-2)8-12(13)17(20)19-16/h4-9H,1-3H3,(H,18,19,20)
InChIKeyJEYBXGNYMWTZMF-UHFFFAOYSA-N
XLogP2.62
TPSA73.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-2-(3-methoxyphenyl)-3H-quinazolin-4-one?
The IUPAC name of 6,7-dimethoxy-2-(3-methoxyphenyl)-3H-quinazolin-4-one (CID 135511100) is 6,7-dimethoxy-2-(3-methoxyphenyl)-3H-quinazolin-4-one.
What is the SMILES notation for 6,7-dimethoxy-2-(3-methoxyphenyl)-3H-quinazolin-4-one?
The canonical SMILES for 6,7-dimethoxy-2-(3-methoxyphenyl)-3H-quinazolin-4-one is COc1cccc(-c2nc3cc(OC)c(OC)cc3c(=O)[nH]2)c1.
What is the InChIKey of 6,7-dimethoxy-2-(3-methoxyphenyl)-3H-quinazolin-4-one?
The InChIKey is JEYBXGNYMWTZMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4/c1-21-11-6-4-5-10(7-11)16-18-13-9-15(23-3)14(22-2)8-12(13)17(20)19-16/h4-9H,1-3H3,(H,18,19,20).
What are the key properties of 6,7-dimethoxy-2-(3-methoxyphenyl)-3H-quinazolin-4-one?
6,7-dimethoxy-2-(3-methoxyphenyl)-3H-quinazolin-4-one has a molecular weight of 312.33 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-2-(3-methoxyphenyl)-3H-quinazolin-4-one is sourced from PubChem (CID 135511100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).