5-[(2S)-3-(3-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]-1,3-dimethylpyrimidine-2,4-dione

C21H20N4O4 — CID 25349071

IUPAC5-[(2S)-3-(3-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCOc1cccc(N2C(=O)c3ccccc3N[C@@H]2c2cn(C)c(=O)n(C)c2=O)c1
InChIInChI=1S/C21H20N4O4/c1-23-12-16(19(26)24(2)21(23)28)18-22-17-10-5-4-9-15(17)20(27)25(18)13-7-6-8-14(11-13)29-3/h4-12,18,22H,1-3H3/t18-/m0/s1
InChIKeyORKKZUOAIHJSTE-SFHVURJKSA-N
MW392.42 g/mol
LogP1.86
Rot. Bonds3

About 5-[(2S)-3-(3-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]-1,3-dimethylpyrimidine-2,4-dione

5-[(2S)-3-(3-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 25349071) has the molecular formula C21H20N4O4 and a molecular weight of 392.42 g/mol. Its IUPAC name is 5-[(2S)-3-(3-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(2S)-3-(3-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID25349071
Molecular FormulaC21H20N4O4
Molecular Weight392.42 g/mol
Exact Mass392.15
IUPAC Name5-[(2S)-3-(3-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCOc1cccc(N2C(=O)c3ccccc3N[C@@H]2c2cn(C)c(=O)n(C)c2=O)c1
InChIInChI=1S/C21H20N4O4/c1-23-12-16(19(26)24(2)21(23)28)18-22-17-10-5-4-9-15(17)20(27)25(18)13-7-6-8-14(11-13)29-3/h4-12,18,22H,1-3H3/t18-/m0/s1
InChIKeyORKKZUOAIHJSTE-SFHVURJKSA-N
XLogP1.86
TPSA85.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[(2S)-3-(3-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]-1,3-dimethylpyrimidine-2,4-dione with MolForge

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Related Compounds

3-(3-methoxyphenyl)-2-pyridin-2-yl-1,2-dihydroquinazolin-4-one
CID 75412903
2-(2-fluoro-4-methoxyphenyl)-3-phenyl-1,2-dihydroquinazolin-4-one
CID 155803459
2-(2-hydroxy-4-methoxyphenyl)-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 3846487
4-[3-(3-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]benzoic acid
CID 17409789
(2S)-2-(3-bromo-4-hydroxyphenyl)-3-(3-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 25354877
3-(4-tert-butylphenyl)-2-(3-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 176687475
(2R)-2-(2-hydroxy-3-methoxyphenyl)-3-(3-methylphenyl)-1,2-dihydroquinazolin-4-one
CID 9007882
2-(3-methoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one
CID 51172490
2-(5-bromo-2,4-dimethoxyphenyl)-3-phenyl-1,2-dihydroquinazolin-4-one
CID 3159958
(2S)-3-(3-methoxyphenyl)-2-[4-(methylamino)-3-nitrophenyl]-1,2-dihydroquinazolin-4-one
CID 52529927
2-(2,4-dimethoxyphenyl)-3-(2-fluorophenyl)-1,2-dihydroquinazolin-4-one
CID 3452230
(2S)-2-(2-bromophenyl)-3-(3-methylphenyl)-1,2-dihydroquinazolin-4-one
CID 1009305

Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-3-(3-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 5-[(2S)-3-(3-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]-1,3-dimethylpyrimidine-2,4-dione (CID 25349071) is 5-[(2S)-3-(3-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 5-[(2S)-3-(3-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 5-[(2S)-3-(3-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]-1,3-dimethylpyrimidine-2,4-dione is COc1cccc(N2C(=O)c3ccccc3N[C@@H]2c2cn(C)c(=O)n(C)c2=O)c1.
What is the InChIKey of 5-[(2S)-3-(3-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is ORKKZUOAIHJSTE-SFHVURJKSA-N. The full InChI is InChI=1S/C21H20N4O4/c1-23-12-16(19(26)24(2)21(23)28)18-22-17-10-5-4-9-15(17)20(27)25(18)13-7-6-8-14(11-13)29-3/h4-12,18,22H,1-3H3/t18-/m0/s1.
What are the key properties of 5-[(2S)-3-(3-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]-1,3-dimethylpyrimidine-2,4-dione?
5-[(2S)-3-(3-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 392.42 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S)-3-(3-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 25349071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).