(2S)-3-benzyl-2-thiophen-3-yl-1,2-dihydroquinazolin-4-one

C19H16N2OS — CID 9006718

IUPAC(2S)-3-benzyl-2-thiophen-3-yl-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2N[C@H](c2ccsc2)N1Cc1ccccc1
InChIInChI=1S/C19H16N2OS/c22-19-16-8-4-5-9-17(16)20-18(15-10-11-23-13-15)21(19)12-14-6-2-1-3-7-14/h1-11,13,18,20H,12H2/t18-/m0/s1
InChIKeyUECCYZKSNPHXBB-SFHVURJKSA-N
MW320.42 g/mol
LogP4.51
Rot. Bonds3

About (2S)-3-benzyl-2-thiophen-3-yl-1,2-dihydroquinazolin-4-one

(2S)-3-benzyl-2-thiophen-3-yl-1,2-dihydroquinazolin-4-one (PubChem CID 9006718) has the molecular formula C19H16N2OS and a molecular weight of 320.42 g/mol. Its IUPAC name is (2S)-3-benzyl-2-thiophen-3-yl-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name(2S)-3-benzyl-2-thiophen-3-yl-1,2-dihydroquinazolin-4-one
PubChem CID9006718
Molecular FormulaC19H16N2OS
Molecular Weight320.42 g/mol
Exact Mass320.10
IUPAC Name(2S)-3-benzyl-2-thiophen-3-yl-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2N[C@H](c2ccsc2)N1Cc1ccccc1
InChIInChI=1S/C19H16N2OS/c22-19-16-8-4-5-9-17(16)20-18(15-10-11-23-13-15)21(19)12-14-6-2-1-3-7-14/h1-11,13,18,20H,12H2/t18-/m0/s1
InChIKeyUECCYZKSNPHXBB-SFHVURJKSA-N
XLogP4.51
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-3-(2-phenylethyl)-2-thiophen-3-yl-1,2-dihydroquinazolin-4-one
CID 9007199
3-benzyl-2-(4-phenylphenyl)-1,2-dihydroquinazolin-4-one
CID 58895109
4-[(2R)-3-benzyl-4-oxo-1,2-dihydroquinazolin-2-yl]benzoic acid
CID 9006783
4-[(2R)-3-benzyl-4-oxo-1,2-dihydroquinazolin-2-yl]benzoate
CID 9006782
(2R)-3-benzyl-2-(3,5-dimethoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 9006820
3-benzyl-2-(3-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 563542
(2R)-3-[(2R)-butan-2-yl]-2-thiophen-3-yl-1,2-dihydroquinazolin-4-one
CID 9007953
(2R)-3-[(2S)-butan-2-yl]-2-thiophen-3-yl-1,2-dihydroquinazolin-4-one
CID 9007955
(2R)-3-benzyl-2-(4-morpholin-4-ylphenyl)-1,2-dihydroquinazolin-4-one
CID 9006737
(2S)-2-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-1,2-dihydroquinazolin-4-one
CID 41064218
(2R)-3-(4-fluorophenyl)-2-thiophen-3-yl-1,2-dihydroquinazolin-4-one
CID 9007316
3-benzyl-2-(3-ethoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 54779605

Frequently Asked Questions

What is the IUPAC name of (2S)-3-benzyl-2-thiophen-3-yl-1,2-dihydroquinazolin-4-one?
The IUPAC name of (2S)-3-benzyl-2-thiophen-3-yl-1,2-dihydroquinazolin-4-one (CID 9006718) is (2S)-3-benzyl-2-thiophen-3-yl-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for (2S)-3-benzyl-2-thiophen-3-yl-1,2-dihydroquinazolin-4-one?
The canonical SMILES for (2S)-3-benzyl-2-thiophen-3-yl-1,2-dihydroquinazolin-4-one is O=C1c2ccccc2N[C@H](c2ccsc2)N1Cc1ccccc1.
What is the InChIKey of (2S)-3-benzyl-2-thiophen-3-yl-1,2-dihydroquinazolin-4-one?
The InChIKey is UECCYZKSNPHXBB-SFHVURJKSA-N. The full InChI is InChI=1S/C19H16N2OS/c22-19-16-8-4-5-9-17(16)20-18(15-10-11-23-13-15)21(19)12-14-6-2-1-3-7-14/h1-11,13,18,20H,12H2/t18-/m0/s1.
What are the key properties of (2S)-3-benzyl-2-thiophen-3-yl-1,2-dihydroquinazolin-4-one?
(2S)-3-benzyl-2-thiophen-3-yl-1,2-dihydroquinazolin-4-one has a molecular weight of 320.42 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-benzyl-2-thiophen-3-yl-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 9006718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).