3-(2,4-dimethoxyphenyl)-2-(2-phenyltriazol-4-yl)-1,2-dihydroquinazolin-4-one

C24H21N5O3 — CID 17464113

IUPAC3-(2,4-dimethoxyphenyl)-2-(2-phenyltriazol-4-yl)-1,2-dihydroquinazolin-4-one
SMILESCOc1ccc(N2C(=O)c3ccccc3NC2c2cnn(-c3ccccc3)n2)c(OC)c1
InChIInChI=1S/C24H21N5O3/c1-31-17-12-13-21(22(14-17)32-2)28-23(26-19-11-7-6-10-18(19)24(28)30)20-15-25-29(27-20)16-8-4-3-5-9-16/h3-15,23,26H,1-2H3
InChIKeyWCZBYQNNQWYXEF-UHFFFAOYSA-N
MW427.46 g/mol
LogP4.06
Rot. Bonds5

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

3-(2,4-dimethoxyphenyl)-2-(2-phenyltriazol-4-yl)-1,2-dihydroquinazolin-4-one (PubChem CID 17464113) has the molecular formula C24H21N5O3 and a molecular weight of 427.46 g/mol. Its IUPAC name is 3-(2,4-dimethoxyphenyl)-2-(2-phenyltriazol-4-yl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name3-(2,4-dimethoxyphenyl)-2-(2-phenyltriazol-4-yl)-1,2-dihydroquinazolin-4-one
PubChem CID17464113
Molecular FormulaC24H21N5O3
Molecular Weight427.46 g/mol
Exact Mass427.16
IUPAC Name3-(2,4-dimethoxyphenyl)-2-(2-phenyltriazol-4-yl)-1,2-dihydroquinazolin-4-one
SMILESCOc1ccc(N2C(=O)c3ccccc3NC2c2cnn(-c3ccccc3)n2)c(OC)c1
InChIInChI=1S/C24H21N5O3/c1-31-17-12-13-21(22(14-17)32-2)28-23(26-19-11-7-6-10-18(19)24(28)30)20-15-25-29(27-20)16-8-4-3-5-9-16/h3-15,23,26H,1-2H3
InChIKeyWCZBYQNNQWYXEF-UHFFFAOYSA-N
XLogP4.06
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.46
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-(2,4-dimethoxyphenyl)-2-(2-phenyltriazol-4-yl)-1,2-dihydroquinazolin-4-one with MolForge

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Related Compounds

(2R)-3-(4-fluorophenyl)-2-(2-phenyltriazol-4-yl)-1,2-dihydroquinazolin-4-one
CID 9291977
(2R)-3-(2,4-dimethoxyphenyl)-2-pyridin-3-yl-1,2-dihydroquinazolin-4-one
CID 40790567
3-(3-methoxyphenyl)-2-pyridin-2-yl-1,2-dihydroquinazolin-4-one
CID 75412903
(2R)-3-(2,4-dimethoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)-1,2-dihydroquinazolin-4-one
CID 25346726
methyl 5-[3-(2,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]-2-methylfuran-3-carboxylate
CID 24562418
(2R)-3-(2,4-dimethoxyphenyl)-2-(2-nitrophenyl)-1,2-dihydroquinazolin-4-one
CID 29217332
2-(2-fluoro-4-methoxyphenyl)-3-phenyl-1,2-dihydroquinazolin-4-one
CID 155803459
2-(2,4-dimethoxyphenyl)-3-(2-fluorophenyl)-1,2-dihydroquinazolin-4-one
CID 3452230
(2S)-3-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 1009267
(2S)-3-(2-methoxyphenyl)-2-(6-methyl-2-pyridinyl)-1,2-dihydroquinazolin-4-one
CID 847903
(2S)-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 9006434
7-chloro-2-(2-phenyltriazol-4-yl)-3-propyl-1,2-dihydroquinazolin-4-one
CID 60525619

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethoxyphenyl)-2-(2-phenyltriazol-4-yl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of 3-(2,4-dimethoxyphenyl)-2-(2-phenyltriazol-4-yl)-1,2-dihydroquinazolin-4-one (CID 17464113) is 3-(2,4-dimethoxyphenyl)-2-(2-phenyltriazol-4-yl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 3-(2,4-dimethoxyphenyl)-2-(2-phenyltriazol-4-yl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 3-(2,4-dimethoxyphenyl)-2-(2-phenyltriazol-4-yl)-1,2-dihydroquinazolin-4-one is COc1ccc(N2C(=O)c3ccccc3NC2c2cnn(-c3ccccc3)n2)c(OC)c1.
What is the InChIKey of 3-(2,4-dimethoxyphenyl)-2-(2-phenyltriazol-4-yl)-1,2-dihydroquinazolin-4-one?
The InChIKey is WCZBYQNNQWYXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O3/c1-31-17-12-13-21(22(14-17)32-2)28-23(26-19-11-7-6-10-18(19)24(28)30)20-15-25-29(27-20)16-8-4-3-5-9-16/h3-15,23,26H,1-2H3.
What are the key properties of 3-(2,4-dimethoxyphenyl)-2-(2-phenyltriazol-4-yl)-1,2-dihydroquinazolin-4-one?
3-(2,4-dimethoxyphenyl)-2-(2-phenyltriazol-4-yl)-1,2-dihydroquinazolin-4-one has a molecular weight of 427.46 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethoxyphenyl)-2-(2-phenyltriazol-4-yl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 17464113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).