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

C21H19N3O3 — CID 40790567

IUPAC(2R)-3-(2,4-dimethoxyphenyl)-2-pyridin-3-yl-1,2-dihydroquinazolin-4-one
SMILESCOc1ccc(N2C(=O)c3ccccc3N[C@H]2c2cccnc2)c(OC)c1
InChIInChI=1S/C21H19N3O3/c1-26-15-9-10-18(19(12-15)27-2)24-20(14-6-5-11-22-13-14)23-17-8-4-3-7-16(17)21(24)25/h3-13,20,23H,1-2H3/t20-/m1/s1
InChIKeyAUEJMFZPPAIPPD-HXUWFJFHSA-N
MW361.40 g/mol
LogP3.87
Rot. Bonds4

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

(2R)-3-(2,4-dimethoxyphenyl)-2-pyridin-3-yl-1,2-dihydroquinazolin-4-one (PubChem CID 40790567) has the molecular formula C21H19N3O3 and a molecular weight of 361.40 g/mol. Its IUPAC name is (2R)-3-(2,4-dimethoxyphenyl)-2-pyridin-3-yl-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name(2R)-3-(2,4-dimethoxyphenyl)-2-pyridin-3-yl-1,2-dihydroquinazolin-4-one
PubChem CID40790567
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC Name(2R)-3-(2,4-dimethoxyphenyl)-2-pyridin-3-yl-1,2-dihydroquinazolin-4-one
SMILESCOc1ccc(N2C(=O)c3ccccc3N[C@H]2c2cccnc2)c(OC)c1
InChIInChI=1S/C21H19N3O3/c1-26-15-9-10-18(19(12-15)27-2)24-20(14-6-5-11-22-13-14)23-17-8-4-3-7-16(17)21(24)25/h3-13,20,23H,1-2H3/t20-/m1/s1
InChIKeyAUEJMFZPPAIPPD-HXUWFJFHSA-N
XLogP3.87
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-3-(4-ethoxyphenyl)-2-pyridin-3-yl-1,2-dihydroquinazolin-4-one
CID 9006701
3-(2,4-dimethoxyphenyl)-2-(2-phenyltriazol-4-yl)-1,2-dihydroquinazolin-4-one
CID 17464113
(2R)-3-(2,4-dimethoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)-1,2-dihydroquinazolin-4-one
CID 25346726
(2R)-3-(2,4-dimethoxyphenyl)-2-(2-nitrophenyl)-1,2-dihydroquinazolin-4-one
CID 29217332
2-(2,4-dimethoxyphenyl)-3-(2-fluorophenyl)-1,2-dihydroquinazolin-4-one
CID 3452230
(2R)-2-(4-methoxyphenyl)-3-pyridin-2-yl-1,2-dihydroquinazolin-4-one
CID 686642
3-oxido-2-pyridin-3-yl-1,2-dihydroquinazolin-4-one
CID 3447673
(2S)-2-(4-fluorophenyl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 9007508
3-(3-methoxyphenyl)-2-pyridin-2-yl-1,2-dihydroquinazolin-4-one
CID 75412903
methyl 5-[3-(2,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]-2-methylfuran-3-carboxylate
CID 24562418
(2S)-3-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 1009267
(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-pyridin-3-yl-1,2-dihydroquinazolin-4-one?
The IUPAC name of (2R)-3-(2,4-dimethoxyphenyl)-2-pyridin-3-yl-1,2-dihydroquinazolin-4-one (CID 40790567) is (2R)-3-(2,4-dimethoxyphenyl)-2-pyridin-3-yl-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for (2R)-3-(2,4-dimethoxyphenyl)-2-pyridin-3-yl-1,2-dihydroquinazolin-4-one?
The canonical SMILES for (2R)-3-(2,4-dimethoxyphenyl)-2-pyridin-3-yl-1,2-dihydroquinazolin-4-one is COc1ccc(N2C(=O)c3ccccc3N[C@H]2c2cccnc2)c(OC)c1.
What is the InChIKey of (2R)-3-(2,4-dimethoxyphenyl)-2-pyridin-3-yl-1,2-dihydroquinazolin-4-one?
The InChIKey is AUEJMFZPPAIPPD-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H19N3O3/c1-26-15-9-10-18(19(12-15)27-2)24-20(14-6-5-11-22-13-14)23-17-8-4-3-7-16(17)21(24)25/h3-13,20,23H,1-2H3/t20-/m1/s1.
What are the key properties of (2R)-3-(2,4-dimethoxyphenyl)-2-pyridin-3-yl-1,2-dihydroquinazolin-4-one?
(2R)-3-(2,4-dimethoxyphenyl)-2-pyridin-3-yl-1,2-dihydroquinazolin-4-one has a molecular weight of 361.40 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(2,4-dimethoxyphenyl)-2-pyridin-3-yl-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 40790567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).