(2R)-2-(4-methylsulfanylphenyl)-3-phenyl-1,2-dihydroquinazolin-4-one

C21H18N2OS — CID 804192

IUPAC(2R)-2-(4-methylsulfanylphenyl)-3-phenyl-1,2-dihydroquinazolin-4-one
SMILESCSc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccccc2)cc1
InChIInChI=1S/C21H18N2OS/c1-25-17-13-11-15(12-14-17)20-22-19-10-6-5-9-18(19)21(24)23(20)16-7-3-2-4-8-16/h2-14,20,22H,1H3/t20-/m1/s1
InChIKeyHNWJLBOXZYWGBE-HXUWFJFHSA-N
MW346.46 g/mol
LogP5.18
Rot. Bonds3

About (2R)-2-(4-methylsulfanylphenyl)-3-phenyl-1,2-dihydroquinazolin-4-one

(2R)-2-(4-methylsulfanylphenyl)-3-phenyl-1,2-dihydroquinazolin-4-one (PubChem CID 804192) has the molecular formula C21H18N2OS and a molecular weight of 346.46 g/mol. Its IUPAC name is (2R)-2-(4-methylsulfanylphenyl)-3-phenyl-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name(2R)-2-(4-methylsulfanylphenyl)-3-phenyl-1,2-dihydroquinazolin-4-one
PubChem CID804192
Molecular FormulaC21H18N2OS
Molecular Weight346.46 g/mol
Exact Mass346.11
IUPAC Name(2R)-2-(4-methylsulfanylphenyl)-3-phenyl-1,2-dihydroquinazolin-4-one
SMILESCSc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccccc2)cc1
InChIInChI=1S/C21H18N2OS/c1-25-17-13-11-15(12-14-17)20-22-19-10-6-5-9-18(19)21(24)23(20)16-7-3-2-4-8-16/h2-14,20,22H,1H3/t20-/m1/s1
InChIKeyHNWJLBOXZYWGBE-HXUWFJFHSA-N
XLogP5.18
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.46
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(4-methylsulfanylphenyl)-3-(4-propan-2-ylphenyl)-1,2-dihydroquinazolin-4-one
CID 126010350
(2S)-2-(4-tert-butylphenyl)-3-phenyl-1,2-dihydroquinazolin-4-one
CID 7659372
(2S)-3-(1,3-benzodioxol-5-yl)-2-(4-methylsulfanylphenyl)-1,2-dihydroquinazolin-4-one
CID 9007675
(2S)-2,3-bis(4-methylphenyl)-1,2-dihydroquinazolin-4-one
CID 805625
3-(4-methylphenyl)-2-phenyl-1,2-dihydroquinazolin-4-one
CID 3112058
(2S)-3-phenyl-2-pyridin-4-yl-1,2-dihydroquinazolin-4-one
CID 9006944
(2S)-3-(4-methylphenyl)-2-phenyl-1,2-dihydroquinazolin-4-one
CID 7331947
(2S)-2-(4-fluorophenyl)-3-(4-methylphenyl)-1,2-dihydroquinazolin-4-one
CID 712104
4-[(2S)-4-oxo-3-phenyl-1,2-dihydroquinazolin-2-yl]benzoate
CID 9006940
4-[3-(4-fluorophenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]benzoic acid
CID 43000917
2-(4-fluorophenyl)-3-(4-propan-2-ylphenyl)-1,2-dihydroquinazolin-4-one
CID 176687415
(2R)-2-(3,5-dibromophenyl)-3-phenyl-1,2-dihydroquinazolin-4-one
CID 125492451

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-methylsulfanylphenyl)-3-phenyl-1,2-dihydroquinazolin-4-one?
The IUPAC name of (2R)-2-(4-methylsulfanylphenyl)-3-phenyl-1,2-dihydroquinazolin-4-one (CID 804192) is (2R)-2-(4-methylsulfanylphenyl)-3-phenyl-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for (2R)-2-(4-methylsulfanylphenyl)-3-phenyl-1,2-dihydroquinazolin-4-one?
The canonical SMILES for (2R)-2-(4-methylsulfanylphenyl)-3-phenyl-1,2-dihydroquinazolin-4-one is CSc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccccc2)cc1.
What is the InChIKey of (2R)-2-(4-methylsulfanylphenyl)-3-phenyl-1,2-dihydroquinazolin-4-one?
The InChIKey is HNWJLBOXZYWGBE-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H18N2OS/c1-25-17-13-11-15(12-14-17)20-22-19-10-6-5-9-18(19)21(24)23(20)16-7-3-2-4-8-16/h2-14,20,22H,1H3/t20-/m1/s1.
What are the key properties of (2R)-2-(4-methylsulfanylphenyl)-3-phenyl-1,2-dihydroquinazolin-4-one?
(2R)-2-(4-methylsulfanylphenyl)-3-phenyl-1,2-dihydroquinazolin-4-one has a molecular weight of 346.46 g/mol, XLogP of 5.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-methylsulfanylphenyl)-3-phenyl-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 804192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).