(2S)-3-[(2S)-butan-2-yl]-2-(5-methylthiophen-2-yl)-1,2-dihydroquinazolin-4-one

C17H20N2OS — CID 9007964

IUPAC(2S)-3-[(2S)-butan-2-yl]-2-(5-methylthiophen-2-yl)-1,2-dihydroquinazolin-4-one
SMILESCC[C@H](C)N1C(=O)c2ccccc2N[C@@H]1c1ccc(C)s1
InChIInChI=1S/C17H20N2OS/c1-4-11(2)19-16(15-10-9-12(3)21-15)18-14-8-6-5-7-13(14)17(19)20/h5-11,16,18H,4H2,1-3H3/t11-,16-/m0/s1
InChIKeyGYFZOMRCTXPDGY-ZBEGNZNMSA-N
MW300.43 g/mol
LogP4.42
Rot. Bonds3

About (2S)-3-[(2S)-butan-2-yl]-2-(5-methylthiophen-2-yl)-1,2-dihydroquinazolin-4-one

(2S)-3-[(2S)-butan-2-yl]-2-(5-methylthiophen-2-yl)-1,2-dihydroquinazolin-4-one (PubChem CID 9007964) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is (2S)-3-[(2S)-butan-2-yl]-2-(5-methylthiophen-2-yl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name(2S)-3-[(2S)-butan-2-yl]-2-(5-methylthiophen-2-yl)-1,2-dihydroquinazolin-4-one
PubChem CID9007964
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC Name(2S)-3-[(2S)-butan-2-yl]-2-(5-methylthiophen-2-yl)-1,2-dihydroquinazolin-4-one
SMILESCC[C@H](C)N1C(=O)c2ccccc2N[C@@H]1c1ccc(C)s1
InChIInChI=1S/C17H20N2OS/c1-4-11(2)19-16(15-10-9-12(3)21-15)18-14-8-6-5-7-13(14)17(19)20/h5-11,16,18H,4H2,1-3H3/t11-,16-/m0/s1
InChIKeyGYFZOMRCTXPDGY-ZBEGNZNMSA-N
XLogP4.42
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-3-[(2S)-butan-2-yl]-2-(5-methylthiophen-2-yl)-1,2-dihydroquinazolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-3-[(2R)-butan-2-yl]-2-thiophen-3-yl-1,2-dihydroquinazolin-4-one
CID 9007953
(2S)-3-[(2S)-butan-2-yl]-2-(3-methylphenyl)-1,2-dihydroquinazolin-4-one
CID 9007947
(2R)-3-[(2S)-butan-2-yl]-2-thiophen-3-yl-1,2-dihydroquinazolin-4-one
CID 9007955
(2R)-3-[(2S)-butan-2-yl]-2-(4-chlorophenyl)-1,2-dihydroquinazolin-4-one
CID 9008066
(2S)-3-[(2R)-butan-2-yl]-2-pyridin-2-yl-1,2-dihydroquinazolin-4-one
CID 9008392
(2R)-3-[(2R)-butan-2-yl]-2-(2,3-dihydroxyphenyl)-1,2-dihydroquinazolin-4-one
CID 9007949
(2S)-2-(5-methylthiophen-2-yl)-3-phenyl-1,2-dihydroquinazolin-4-one
CID 9006896
3-butan-2-yl-2-(4-ethoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 54779004
(2R)-3-[(2R)-butan-2-yl]-2-(3-fluorophenyl)-1,2-dihydroquinazolin-4-one
CID 9008174
(2S)-3-[(2R)-butan-2-yl]-2-(3-fluorophenyl)-1,2-dihydroquinazolin-4-one
CID 9008176
2-(5-methylthiophen-2-yl)-3-(2,2,2-trifluoroethyl)-1,2-dihydroquinazolin-4-one
CID 17461328
(2S)-3-[(2R)-butan-2-yl]-2-(4-nitrophenyl)-1,2-dihydroquinazolin-4-one
CID 9012010

Frequently Asked Questions

What is the IUPAC name of (2S)-3-[(2S)-butan-2-yl]-2-(5-methylthiophen-2-yl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of (2S)-3-[(2S)-butan-2-yl]-2-(5-methylthiophen-2-yl)-1,2-dihydroquinazolin-4-one (CID 9007964) is (2S)-3-[(2S)-butan-2-yl]-2-(5-methylthiophen-2-yl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for (2S)-3-[(2S)-butan-2-yl]-2-(5-methylthiophen-2-yl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for (2S)-3-[(2S)-butan-2-yl]-2-(5-methylthiophen-2-yl)-1,2-dihydroquinazolin-4-one is CC[C@H](C)N1C(=O)c2ccccc2N[C@@H]1c1ccc(C)s1.
What is the InChIKey of (2S)-3-[(2S)-butan-2-yl]-2-(5-methylthiophen-2-yl)-1,2-dihydroquinazolin-4-one?
The InChIKey is GYFZOMRCTXPDGY-ZBEGNZNMSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-4-11(2)19-16(15-10-9-12(3)21-15)18-14-8-6-5-7-13(14)17(19)20/h5-11,16,18H,4H2,1-3H3/t11-,16-/m0/s1.
What are the key properties of (2S)-3-[(2S)-butan-2-yl]-2-(5-methylthiophen-2-yl)-1,2-dihydroquinazolin-4-one?
(2S)-3-[(2S)-butan-2-yl]-2-(5-methylthiophen-2-yl)-1,2-dihydroquinazolin-4-one has a molecular weight of 300.43 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-[(2S)-butan-2-yl]-2-(5-methylthiophen-2-yl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 9007964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).