(2S)-3-(2-methoxyphenyl)-2-(6-methyl-2-pyridinyl)-1,2-dihydroquinazolin-4-one

C21H19N3O2 — CID 847903

IUPAC(2S)-3-(2-methoxyphenyl)-2-(6-methyl-2-pyridinyl)-1,2-dihydroquinazolin-4-one
SMILESCOc1ccccc1N1C(=O)c2ccccc2N[C@@H]1c1cccc(C)n1
InChIInChI=1S/C21H19N3O2/c1-14-8-7-11-17(22-14)20-23-16-10-4-3-9-15(16)21(25)24(20)18-12-5-6-13-19(18)26-2/h3-13,20,23H,1-2H3/t20-/m0/s1
InChIKeyORWUNGVPEFXEBK-FQEVSTJZSA-N
MW345.40 g/mol
LogP4.17
Rot. Bonds3

About (2S)-3-(2-methoxyphenyl)-2-(6-methyl-2-pyridinyl)-1,2-dihydroquinazolin-4-one

(2S)-3-(2-methoxyphenyl)-2-(6-methyl-2-pyridinyl)-1,2-dihydroquinazolin-4-one (PubChem CID 847903) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is (2S)-3-(2-methoxyphenyl)-2-(6-methyl-2-pyridinyl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name(2S)-3-(2-methoxyphenyl)-2-(6-methyl-2-pyridinyl)-1,2-dihydroquinazolin-4-one
PubChem CID847903
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC Name(2S)-3-(2-methoxyphenyl)-2-(6-methyl-2-pyridinyl)-1,2-dihydroquinazolin-4-one
SMILESCOc1ccccc1N1C(=O)c2ccccc2N[C@@H]1c1cccc(C)n1
InChIInChI=1S/C21H19N3O2/c1-14-8-7-11-17(22-14)20-23-16-10-4-3-9-15(16)21(25)24(20)18-12-5-6-13-19(18)26-2/h3-13,20,23H,1-2H3/t20-/m0/s1
InChIKeyORWUNGVPEFXEBK-FQEVSTJZSA-N
XLogP4.17
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-3-(4-fluorophenyl)-2-(6-methyl-2-pyridinyl)-1,2-dihydroquinazolin-4-one
CID 847899
(2S)-2-(4-fluorophenyl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 9007508
(2S)-3-(2-methoxyphenyl)-2-(2,4,5-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 9007459
(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
(2R)-2-(furan-2-yl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 9007501
(2R)-2-(3-hydroxy-4-methoxyphenyl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 9007456
(2S)-3-(2-methoxyphenyl)-2-(3-nitrophenyl)-1,2-dihydroquinazolin-4-one
CID 9011931
N-[4-[(2S)-3-(2-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenyl]acetamide
CID 2174419
2-(1,3-benzodioxol-5-yl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 2962498
(2R)-2-(1,3-benzodioxol-5-yl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 1302513
(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 9328285

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(2-methoxyphenyl)-2-(6-methyl-2-pyridinyl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of (2S)-3-(2-methoxyphenyl)-2-(6-methyl-2-pyridinyl)-1,2-dihydroquinazolin-4-one (CID 847903) is (2S)-3-(2-methoxyphenyl)-2-(6-methyl-2-pyridinyl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for (2S)-3-(2-methoxyphenyl)-2-(6-methyl-2-pyridinyl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for (2S)-3-(2-methoxyphenyl)-2-(6-methyl-2-pyridinyl)-1,2-dihydroquinazolin-4-one is COc1ccccc1N1C(=O)c2ccccc2N[C@@H]1c1cccc(C)n1.
What is the InChIKey of (2S)-3-(2-methoxyphenyl)-2-(6-methyl-2-pyridinyl)-1,2-dihydroquinazolin-4-one?
The InChIKey is ORWUNGVPEFXEBK-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H19N3O2/c1-14-8-7-11-17(22-14)20-23-16-10-4-3-9-15(16)21(25)24(20)18-12-5-6-13-19(18)26-2/h3-13,20,23H,1-2H3/t20-/m0/s1.
What are the key properties of (2S)-3-(2-methoxyphenyl)-2-(6-methyl-2-pyridinyl)-1,2-dihydroquinazolin-4-one?
(2S)-3-(2-methoxyphenyl)-2-(6-methyl-2-pyridinyl)-1,2-dihydroquinazolin-4-one has a molecular weight of 345.40 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(2-methoxyphenyl)-2-(6-methyl-2-pyridinyl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 847903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).