6,7-dimethoxy-1-methyl-4-phenylquinazolin-2-one

C17H16N2O3 — CID 158002363

IUPAC6,7-dimethoxy-1-methyl-4-phenylquinazolin-2-one
SMILESCOc1cc2c(-c3ccccc3)nc(=O)n(C)c2cc1OC
InChIInChI=1S/C17H16N2O3/c1-19-13-10-15(22-3)14(21-2)9-12(13)16(18-17(19)20)11-7-5-4-6-8-11/h4-10H,1-3H3
InChIKeyFDWQSSAKIXWXHL-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.62
Rot. Bonds3

About 6,7-dimethoxy-1-methyl-4-phenylquinazolin-2-one

6,7-dimethoxy-1-methyl-4-phenylquinazolin-2-one (PubChem CID 158002363) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is 6,7-dimethoxy-1-methyl-4-phenylquinazolin-2-one.

Molecular Properties

Compound Name6,7-dimethoxy-1-methyl-4-phenylquinazolin-2-one
PubChem CID158002363
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name6,7-dimethoxy-1-methyl-4-phenylquinazolin-2-one
SMILESCOc1cc2c(-c3ccccc3)nc(=O)n(C)c2cc1OC
InChIInChI=1S/C17H16N2O3/c1-19-13-10-15(22-3)14(21-2)9-12(13)16(18-17(19)20)11-7-5-4-6-8-11/h4-10H,1-3H3
InChIKeyFDWQSSAKIXWXHL-UHFFFAOYSA-N
XLogP2.62
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-methoxyphenyl)-1,7-dimethylquinazolin-2-one
CID 163851359
2,7-dimethoxy-9-methyl-3,6-diphenylcarbazole
CID 143239757
6,7-dimethoxy-2,3-diphenylquinoxaline
CID 1236458
7,8-dimethoxy-1,5-dimethyl-3-phenylpyridazino[4,5-b]indol-4-one
CID 4905828
6,7-dimethoxy-2-(4-methoxyphenyl)-1-phenylisoquinolin-3-one
CID 134913131
4-(3-chlorophenyl)-6-(4-chlorophenyl)-1-methylquinazolin-2-one
CID 139899667
1-(cyclohexylmethyl)-6,7-dimethoxy-4-(4-propan-2-ylphenyl)quinazolin-2-one
CID 10159139
6,7-dimethoxy-1,4-diphenylnaphthalene
CID 134090814
2-(6-chloro-2-oxo-4-phenylquinazolin-1-yl)-N-(4-methoxyphenyl)acetamide
CID 16875842
6-(4-methoxyphenyl)-2-methyl-5-phenylpyridazin-3-one
CID 59651906
7,8-dimethoxy-5-methyl-1-phenyl-[1,2]oxazolo[5,4-c]isoquinoline
CID 878649
6,7-difluoro-1-methyl-3-phenylquinoxalin-2-one
CID 162418135

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-1-methyl-4-phenylquinazolin-2-one?
The IUPAC name of 6,7-dimethoxy-1-methyl-4-phenylquinazolin-2-one (CID 158002363) is 6,7-dimethoxy-1-methyl-4-phenylquinazolin-2-one.
What is the SMILES notation for 6,7-dimethoxy-1-methyl-4-phenylquinazolin-2-one?
The canonical SMILES for 6,7-dimethoxy-1-methyl-4-phenylquinazolin-2-one is COc1cc2c(-c3ccccc3)nc(=O)n(C)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-1-methyl-4-phenylquinazolin-2-one?
The InChIKey is FDWQSSAKIXWXHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-19-13-10-15(22-3)14(21-2)9-12(13)16(18-17(19)20)11-7-5-4-6-8-11/h4-10H,1-3H3.
What are the key properties of 6,7-dimethoxy-1-methyl-4-phenylquinazolin-2-one?
6,7-dimethoxy-1-methyl-4-phenylquinazolin-2-one has a molecular weight of 296.33 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-1-methyl-4-phenylquinazolin-2-one is sourced from PubChem (CID 158002363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).