(2S)-2-(5-methylthiophen-2-yl)-3-phenyl-1,2-dihydroquinazolin-4-one

C19H16N2OS — CID 9006896

IUPAC(2S)-2-(5-methylthiophen-2-yl)-3-phenyl-1,2-dihydroquinazolin-4-one
SMILESCc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccccc2)s1
InChIInChI=1S/C19H16N2OS/c1-13-11-12-17(23-13)18-20-16-10-6-5-9-15(16)19(22)21(18)14-7-3-2-4-8-14/h2-12,18,20H,1H3/t18-/m0/s1
InChIKeyBOAPXDSRULBILC-SFHVURJKSA-N
MW320.42 g/mol
LogP4.83
Rot. Bonds2

About (2S)-2-(5-methylthiophen-2-yl)-3-phenyl-1,2-dihydroquinazolin-4-one

(2S)-2-(5-methylthiophen-2-yl)-3-phenyl-1,2-dihydroquinazolin-4-one (PubChem CID 9006896) has the molecular formula C19H16N2OS and a molecular weight of 320.42 g/mol. Its IUPAC name is (2S)-2-(5-methylthiophen-2-yl)-3-phenyl-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name(2S)-2-(5-methylthiophen-2-yl)-3-phenyl-1,2-dihydroquinazolin-4-one
PubChem CID9006896
Molecular FormulaC19H16N2OS
Molecular Weight320.42 g/mol
Exact Mass320.10
IUPAC Name(2S)-2-(5-methylthiophen-2-yl)-3-phenyl-1,2-dihydroquinazolin-4-one
SMILESCc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccccc2)s1
InChIInChI=1S/C19H16N2OS/c1-13-11-12-17(23-13)18-20-16-10-6-5-9-15(16)19(22)21(18)14-7-3-2-4-8-14/h2-12,18,20H,1H3/t18-/m0/s1
InChIKeyBOAPXDSRULBILC-SFHVURJKSA-N
XLogP4.83
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-methylthiophen-2-yl)-3-pyridin-4-yl-1,2-dihydroquinazolin-4-one
CID 71625882
3-phenyl-2-(5-pyridin-2-ylthiophen-2-yl)-1,2-dihydroquinazolin-4-one
CID 71625651
2-(3-methylthiophen-2-yl)-3-phenyl-1,2-dihydroquinazolin-4-one
CID 71625422
3-phenyl-2-[5-(thiophen-2-ylmethyl)thiophen-2-yl]-1,2-dihydroquinazolin-4-one
CID 144607688
(2S)-3-(4-methylphenyl)-2-thiophen-2-yl-1,2-dihydroquinazolin-4-one
CID 9007444
(2S)-3-(4-methylphenyl)-2-phenyl-1,2-dihydroquinazolin-4-one
CID 7331947
3-(4-methylphenyl)-2-phenyl-1,2-dihydroquinazolin-4-one
CID 3112058
(2R)-2-(5-methylfuran-2-yl)-3-phenyl-1,2-dihydroquinazolin-4-one
CID 9006914
2-(5-methylthiophen-2-yl)-3-(2,2,2-trifluoroethyl)-1,2-dihydroquinazolin-4-one
CID 17461328
(2S)-3-[(2S)-butan-2-yl]-2-(5-methylthiophen-2-yl)-1,2-dihydroquinazolin-4-one
CID 9007964
3-(2-methoxyethyl)-2-(5-methylthiophen-2-yl)-1,2-dihydroquinazolin-4-one
CID 46515563
(2S)-2,3-bis(4-methylphenyl)-1,2-dihydroquinazolin-4-one
CID 805625

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(5-methylthiophen-2-yl)-3-phenyl-1,2-dihydroquinazolin-4-one?
The IUPAC name of (2S)-2-(5-methylthiophen-2-yl)-3-phenyl-1,2-dihydroquinazolin-4-one (CID 9006896) is (2S)-2-(5-methylthiophen-2-yl)-3-phenyl-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for (2S)-2-(5-methylthiophen-2-yl)-3-phenyl-1,2-dihydroquinazolin-4-one?
The canonical SMILES for (2S)-2-(5-methylthiophen-2-yl)-3-phenyl-1,2-dihydroquinazolin-4-one is Cc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccccc2)s1.
What is the InChIKey of (2S)-2-(5-methylthiophen-2-yl)-3-phenyl-1,2-dihydroquinazolin-4-one?
The InChIKey is BOAPXDSRULBILC-SFHVURJKSA-N. The full InChI is InChI=1S/C19H16N2OS/c1-13-11-12-17(23-13)18-20-16-10-6-5-9-15(16)19(22)21(18)14-7-3-2-4-8-14/h2-12,18,20H,1H3/t18-/m0/s1.
What are the key properties of (2S)-2-(5-methylthiophen-2-yl)-3-phenyl-1,2-dihydroquinazolin-4-one?
(2S)-2-(5-methylthiophen-2-yl)-3-phenyl-1,2-dihydroquinazolin-4-one has a molecular weight of 320.42 g/mol, XLogP of 4.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(5-methylthiophen-2-yl)-3-phenyl-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 9006896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).