2-(3,4-dimethoxyphenyl)-3-oxido-1,2-dihydroquinazolin-4-one

C16H15N2O4- — CID 3415932

IUPAC2-(3,4-dimethoxyphenyl)-3-oxido-1,2-dihydroquinazolin-4-one
SMILESCOc1ccc(C2Nc3ccccc3C(=O)N2[O-])cc1OC
InChIInChI=1S/C16H15N2O4/c1-21-13-8-7-10(9-14(13)22-2)15-17-12-6-4-3-5-11(12)16(19)18(15)20/h3-9,15,17H,1-2H3/q-1
InChIKeyGTUYTLCBSKDJNZ-UHFFFAOYSA-N
MW299.31 g/mol
LogP2.77
Rot. Bonds3

About 2-(3,4-dimethoxyphenyl)-3-oxido-1,2-dihydroquinazolin-4-one

2-(3,4-dimethoxyphenyl)-3-oxido-1,2-dihydroquinazolin-4-one (PubChem CID 3415932) has the molecular formula C16H15N2O4- and a molecular weight of 299.31 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-3-oxido-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-3-oxido-1,2-dihydroquinazolin-4-one
PubChem CID3415932
Molecular FormulaC16H15N2O4-
Molecular Weight299.31 g/mol
Exact Mass299.10
IUPAC Name2-(3,4-dimethoxyphenyl)-3-oxido-1,2-dihydroquinazolin-4-one
SMILESCOc1ccc(C2Nc3ccccc3C(=O)N2[O-])cc1OC
InChIInChI=1S/C16H15N2O4/c1-21-13-8-7-10(9-14(13)22-2)15-17-12-6-4-3-5-11(12)16(19)18(15)20/h3-9,15,17H,1-2H3/q-1
InChIKeyGTUYTLCBSKDJNZ-UHFFFAOYSA-N
XLogP2.77
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-3-cyclopropyl-2-(3,4-dimethoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 31521568
(2S)-3-[(2S)-butan-2-yl]-2-(3,4-dimethoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 9008031
3-butan-2-yl-2-(3-methoxy-4-propan-2-yloxyphenyl)-1,2-dihydroquinazolin-4-one
CID 54779036
N-[2-(3,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-phenylacetamide
CID 18887257
3-butyl-2-(3-methoxy-4-propan-2-yloxyphenyl)-1,2-dihydroquinazolin-4-one
CID 54778948
2-[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]-3-methyl-1,2-dihydroquinazolin-4-one
CID 54779970
2-(4-hexoxy-3-methoxyphenyl)-3-methyl-1,2-dihydroquinazolin-4-one
CID 54778229
(2R)-3-[(2R)-butan-2-yl]-2-(4-ethoxy-3-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 9008099
(2S)-2-[3-(difluoromethoxy)-4-methoxyphenyl]-3-phenyl-1,2-dihydroquinazolin-4-one
CID 9006981
(2S)-2-(4-methoxy-3-propoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one
CID 9009105
2-(4-hydroxy-3,5-dimethoxyphenyl)-3-methyl-1,2-dihydroquinazolin-4-one
CID 46613480
2-[3-methoxy-4-(3-phenylpropoxy)phenyl]-3-(2-phenylethyl)-1,2-dihydroquinazolin-4-one
CID 54779981

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-3-oxido-1,2-dihydroquinazolin-4-one?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-3-oxido-1,2-dihydroquinazolin-4-one (CID 3415932) is 2-(3,4-dimethoxyphenyl)-3-oxido-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-3-oxido-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-3-oxido-1,2-dihydroquinazolin-4-one is COc1ccc(C2Nc3ccccc3C(=O)N2[O-])cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-3-oxido-1,2-dihydroquinazolin-4-one?
The InChIKey is GTUYTLCBSKDJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N2O4/c1-21-13-8-7-10(9-14(13)22-2)15-17-12-6-4-3-5-11(12)16(19)18(15)20/h3-9,15,17H,1-2H3/q-1.
What are the key properties of 2-(3,4-dimethoxyphenyl)-3-oxido-1,2-dihydroquinazolin-4-one?
2-(3,4-dimethoxyphenyl)-3-oxido-1,2-dihydroquinazolin-4-one has a molecular weight of 299.31 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-3-oxido-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 3415932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).