(2S)-2-(4-methylsulfanylphenyl)-3-(4-propan-2-ylphenyl)-1,2-dihydroquinazolin-4-one

C24H24N2OS — CID 126010350

IUPAC(2S)-2-(4-methylsulfanylphenyl)-3-(4-propan-2-ylphenyl)-1,2-dihydroquinazolin-4-one
SMILESCSc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C24H24N2OS/c1-16(2)17-8-12-19(13-9-17)26-23(18-10-14-20(28-3)15-11-18)25-22-7-5-4-6-21(22)24(26)27/h4-16,23,25H,1-3H3/t23-/m0/s1
InChIKeyUPILEYNETWULDF-QHCPKHFHSA-N
MW388.54 g/mol
LogP6.30
Rot. Bonds4

About (2S)-2-(4-methylsulfanylphenyl)-3-(4-propan-2-ylphenyl)-1,2-dihydroquinazolin-4-one

(2S)-2-(4-methylsulfanylphenyl)-3-(4-propan-2-ylphenyl)-1,2-dihydroquinazolin-4-one (PubChem CID 126010350) has the molecular formula C24H24N2OS and a molecular weight of 388.54 g/mol. Its IUPAC name is (2S)-2-(4-methylsulfanylphenyl)-3-(4-propan-2-ylphenyl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name(2S)-2-(4-methylsulfanylphenyl)-3-(4-propan-2-ylphenyl)-1,2-dihydroquinazolin-4-one
PubChem CID126010350
Molecular FormulaC24H24N2OS
Molecular Weight388.54 g/mol
Exact Mass388.16
IUPAC Name(2S)-2-(4-methylsulfanylphenyl)-3-(4-propan-2-ylphenyl)-1,2-dihydroquinazolin-4-one
SMILESCSc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C24H24N2OS/c1-16(2)17-8-12-19(13-9-17)26-23(18-10-14-20(28-3)15-11-18)25-22-7-5-4-6-21(22)24(26)27/h4-16,23,25H,1-3H3/t23-/m0/s1
InChIKeyUPILEYNETWULDF-QHCPKHFHSA-N
XLogP6.30
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.54
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenyl)-3-(4-propan-2-ylphenyl)-1,2-dihydroquinazolin-4-one
CID 176687415
(2R)-2-(4-methylsulfanylphenyl)-3-phenyl-1,2-dihydroquinazolin-4-one
CID 804192
2-(4-methoxyphenyl)-3-(4-propan-2-ylphenyl)-1,2-dihydroquinazolin-4-one
CID 3117510
(2S)-2,3-bis(4-methylphenyl)-1,2-dihydroquinazolin-4-one
CID 805625
(2S)-3-(1,3-benzodioxol-5-yl)-2-(4-methylsulfanylphenyl)-1,2-dihydroquinazolin-4-one
CID 9007675
(2S)-2-(1,3-benzodioxol-5-yl)-3-(4-propan-2-ylphenyl)-1,2-dihydroquinazolin-4-one
CID 1043350
(2S)-2-(4-fluorophenyl)-3-(4-methylphenyl)-1,2-dihydroquinazolin-4-one
CID 712104
3-(4-methylphenyl)-2-phenyl-1,2-dihydroquinazolin-4-one
CID 3112058
(2S)-3-(4-methylphenyl)-2-phenyl-1,2-dihydroquinazolin-4-one
CID 7331947
(2S)-2-(4-tert-butylphenyl)-3-phenyl-1,2-dihydroquinazolin-4-one
CID 7659372
(2R)-3-(4-fluorophenyl)-2-pyridin-4-yl-1,2-dihydroquinazolin-4-one
CID 9007353
4-[3-(4-fluorophenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]benzoic acid
CID 43000917

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-methylsulfanylphenyl)-3-(4-propan-2-ylphenyl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of (2S)-2-(4-methylsulfanylphenyl)-3-(4-propan-2-ylphenyl)-1,2-dihydroquinazolin-4-one (CID 126010350) is (2S)-2-(4-methylsulfanylphenyl)-3-(4-propan-2-ylphenyl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for (2S)-2-(4-methylsulfanylphenyl)-3-(4-propan-2-ylphenyl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for (2S)-2-(4-methylsulfanylphenyl)-3-(4-propan-2-ylphenyl)-1,2-dihydroquinazolin-4-one is CSc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc(C(C)C)cc2)cc1.
What is the InChIKey of (2S)-2-(4-methylsulfanylphenyl)-3-(4-propan-2-ylphenyl)-1,2-dihydroquinazolin-4-one?
The InChIKey is UPILEYNETWULDF-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H24N2OS/c1-16(2)17-8-12-19(13-9-17)26-23(18-10-14-20(28-3)15-11-18)25-22-7-5-4-6-21(22)24(26)27/h4-16,23,25H,1-3H3/t23-/m0/s1.
What are the key properties of (2S)-2-(4-methylsulfanylphenyl)-3-(4-propan-2-ylphenyl)-1,2-dihydroquinazolin-4-one?
(2S)-2-(4-methylsulfanylphenyl)-3-(4-propan-2-ylphenyl)-1,2-dihydroquinazolin-4-one has a molecular weight of 388.54 g/mol, XLogP of 6.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-methylsulfanylphenyl)-3-(4-propan-2-ylphenyl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 126010350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).