5,7-dimethoxy-2-(3-methylphenyl)-3H-quinazolin-4-one

C17H16N2O3 — CID 166629023

IUPAC5,7-dimethoxy-2-(3-methylphenyl)-3H-quinazolin-4-one
SMILESCOc1cc(OC)c2c(=O)[nH]c(-c3cccc(C)c3)nc2c1
InChIInChI=1S/C17H16N2O3/c1-10-5-4-6-11(7-10)16-18-13-8-12(21-2)9-14(22-3)15(13)17(20)19-16/h4-9H,1-3H3,(H,18,19,20)
InChIKeyLZFNJRYLCGMJLS-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.92
Rot. Bonds3

About 5,7-dimethoxy-2-(3-methylphenyl)-3H-quinazolin-4-one

5,7-dimethoxy-2-(3-methylphenyl)-3H-quinazolin-4-one (PubChem CID 166629023) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is 5,7-dimethoxy-2-(3-methylphenyl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name5,7-dimethoxy-2-(3-methylphenyl)-3H-quinazolin-4-one
PubChem CID166629023
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name5,7-dimethoxy-2-(3-methylphenyl)-3H-quinazolin-4-one
SMILESCOc1cc(OC)c2c(=O)[nH]c(-c3cccc(C)c3)nc2c1
InChIInChI=1S/C17H16N2O3/c1-10-5-4-6-11(7-10)16-18-13-8-12(21-2)9-14(22-3)15(13)17(20)19-16/h4-9H,1-3H3,(H,18,19,20)
InChIKeyLZFNJRYLCGMJLS-UHFFFAOYSA-N
XLogP2.92
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethoxy-2-(3-methylphenyl)-3H-quinazolin-4-one?
The IUPAC name of 5,7-dimethoxy-2-(3-methylphenyl)-3H-quinazolin-4-one (CID 166629023) is 5,7-dimethoxy-2-(3-methylphenyl)-3H-quinazolin-4-one.
What is the SMILES notation for 5,7-dimethoxy-2-(3-methylphenyl)-3H-quinazolin-4-one?
The canonical SMILES for 5,7-dimethoxy-2-(3-methylphenyl)-3H-quinazolin-4-one is COc1cc(OC)c2c(=O)[nH]c(-c3cccc(C)c3)nc2c1.
What is the InChIKey of 5,7-dimethoxy-2-(3-methylphenyl)-3H-quinazolin-4-one?
The InChIKey is LZFNJRYLCGMJLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-10-5-4-6-11(7-10)16-18-13-8-12(21-2)9-14(22-3)15(13)17(20)19-16/h4-9H,1-3H3,(H,18,19,20).
What are the key properties of 5,7-dimethoxy-2-(3-methylphenyl)-3H-quinazolin-4-one?
5,7-dimethoxy-2-(3-methylphenyl)-3H-quinazolin-4-one has a molecular weight of 296.33 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethoxy-2-(3-methylphenyl)-3H-quinazolin-4-one is sourced from PubChem (CID 166629023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).