(2R)-3-(2,4-dimethoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)-1,2-dihydroquinazolin-4-one

C22H24N4O3 — CID 25346726

IUPAC(2R)-3-(2,4-dimethoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)-1,2-dihydroquinazolin-4-one
SMILESCOc1ccc(N2C(=O)c3ccccc3N[C@H]2c2c(C)nn(C)c2C)c(OC)c1
InChIInChI=1S/C22H24N4O3/c1-13-20(14(2)25(3)24-13)21-23-17-9-7-6-8-16(17)22(27)26(21)18-11-10-15(28-4)12-19(18)29-5/h6-12,21,23H,1-5H3/t21-/m1/s1
InChIKeyVOXIJHFEQYYXKX-OAQYLSRUSA-N
MW392.46 g/mol
LogP3.83
Rot. Bonds4

About (2R)-3-(2,4-dimethoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)-1,2-dihydroquinazolin-4-one

(2R)-3-(2,4-dimethoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)-1,2-dihydroquinazolin-4-one (PubChem CID 25346726) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is (2R)-3-(2,4-dimethoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name(2R)-3-(2,4-dimethoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)-1,2-dihydroquinazolin-4-one
PubChem CID25346726
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name(2R)-3-(2,4-dimethoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)-1,2-dihydroquinazolin-4-one
SMILESCOc1ccc(N2C(=O)c3ccccc3N[C@H]2c2c(C)nn(C)c2C)c(OC)c1
InChIInChI=1S/C22H24N4O3/c1-13-20(14(2)25(3)24-13)21-23-17-9-7-6-8-16(17)22(27)26(21)18-11-10-15(28-4)12-19(18)29-5/h6-12,21,23H,1-5H3/t21-/m1/s1
InChIKeyVOXIJHFEQYYXKX-OAQYLSRUSA-N
XLogP3.83
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R)-3-(2,4-dimethoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)-1,2-dihydroquinazolin-4-one with MolForge

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Related Compounds

(2R)-3-(2,4-dimethoxyphenyl)-2-pyridin-3-yl-1,2-dihydroquinazolin-4-one
CID 40790567
(2R)-3-(2,4-dimethoxyphenyl)-2-(2-nitrophenyl)-1,2-dihydroquinazolin-4-one
CID 29217332
3-(2,4-dimethoxyphenyl)-2-(2-phenyltriazol-4-yl)-1,2-dihydroquinazolin-4-one
CID 17464113
3-oxido-2-(1,3,5-trimethylpyrazol-4-yl)-1,2-dihydroquinazolin-4-one
CID 4744803
methyl 5-[3-(2,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]-2-methylfuran-3-carboxylate
CID 24562418
2-(2,4-dimethoxyphenyl)-3-(2-fluorophenyl)-1,2-dihydroquinazolin-4-one
CID 3452230
(2S)-3-(2-methoxyphenyl)-2-(2,4,5-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 9007459
(2S)-3-(2-methoxyphenyl)-2-(6-methyl-2-pyridinyl)-1,2-dihydroquinazolin-4-one
CID 847903
(2R)-2-[5-chloro-1-[(3S)-1,1-dioxothiolan-3-yl]-3-methylpyrazol-4-yl]-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 41118065
(2S)-2-(4-fluorophenyl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 9007508
(2R)-2-(2,3-dihydroxyphenyl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 9007460
(2S)-3-(2-methoxyphenyl)-2-(1,3-thiazol-5-yl)-1,2-dihydroquinazolin-4-one
CID 97324736

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(2,4-dimethoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of (2R)-3-(2,4-dimethoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)-1,2-dihydroquinazolin-4-one (CID 25346726) is (2R)-3-(2,4-dimethoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for (2R)-3-(2,4-dimethoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for (2R)-3-(2,4-dimethoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)-1,2-dihydroquinazolin-4-one is COc1ccc(N2C(=O)c3ccccc3N[C@H]2c2c(C)nn(C)c2C)c(OC)c1.
What is the InChIKey of (2R)-3-(2,4-dimethoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)-1,2-dihydroquinazolin-4-one?
The InChIKey is VOXIJHFEQYYXKX-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-13-20(14(2)25(3)24-13)21-23-17-9-7-6-8-16(17)22(27)26(21)18-11-10-15(28-4)12-19(18)29-5/h6-12,21,23H,1-5H3/t21-/m1/s1.
What are the key properties of (2R)-3-(2,4-dimethoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)-1,2-dihydroquinazolin-4-one?
(2R)-3-(2,4-dimethoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)-1,2-dihydroquinazolin-4-one has a molecular weight of 392.46 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(2,4-dimethoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 25346726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).