3-[[(2S)-oxolan-2-yl]methyl]spiro[1H-quinazoline-2,4'-thiane]-4-one

C17H22N2O2S — CID 32967722

IUPAC3-[[(2S)-oxolan-2-yl]methyl]spiro[1H-quinazoline-2,4'-thiane]-4-one
SMILESO=C1c2ccccc2NC2(CCSCC2)N1C[C@@H]1CCCO1
InChIInChI=1S/C17H22N2O2S/c20-16-14-5-1-2-6-15(14)18-17(7-10-22-11-8-17)19(16)12-13-4-3-9-21-13/h1-2,5-6,13,18H,3-4,7-12H2/t13-/m0/s1
InChIKeyDNLPSFIELXALJR-ZDUSSCGKSA-N
MW318.44 g/mol
LogP2.96
Rot. Bonds2

About 3-[[(2S)-oxolan-2-yl]methyl]spiro[1H-quinazoline-2,4'-thiane]-4-one

3-[[(2S)-oxolan-2-yl]methyl]spiro[1H-quinazoline-2,4'-thiane]-4-one (PubChem CID 32967722) has the molecular formula C17H22N2O2S and a molecular weight of 318.44 g/mol. Its IUPAC name is 3-[[(2S)-oxolan-2-yl]methyl]spiro[1H-quinazoline-2,4'-thiane]-4-one.

Molecular Properties

Compound Name3-[[(2S)-oxolan-2-yl]methyl]spiro[1H-quinazoline-2,4'-thiane]-4-one
PubChem CID32967722
Molecular FormulaC17H22N2O2S
Molecular Weight318.44 g/mol
Exact Mass318.14
IUPAC Name3-[[(2S)-oxolan-2-yl]methyl]spiro[1H-quinazoline-2,4'-thiane]-4-one
SMILESO=C1c2ccccc2NC2(CCSCC2)N1C[C@@H]1CCCO1
InChIInChI=1S/C17H22N2O2S/c20-16-14-5-1-2-6-15(14)18-17(7-10-22-11-8-17)19(16)12-13-4-3-9-21-13/h1-2,5-6,13,18H,3-4,7-12H2/t13-/m0/s1
InChIKeyDNLPSFIELXALJR-ZDUSSCGKSA-N
XLogP2.96
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[[(2S)-oxolan-2-yl]methyl]spiro[1H-quinazoline-2,4'-thiane]-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

3-(oxolan-2-ylmethyl)spiro[1H-quinazoline-2,4'-thiane]-4-one
CID 47013379
2-[4-(2-methoxyethoxy)phenyl]-2-methyl-3-(oxolan-2-ylmethyl)-1H-quinazolin-4-one
CID 54779784
2-methyl-3-(oxolan-2-ylmethyl)-2-(2-prop-2-enoxyphenyl)-1H-quinazolin-4-one
CID 54780423
(4R)-1-oxo-2-[[(2S)-oxolan-2-yl]methyl]spiro[4H-isoquinoline-3,1'-cyclopentane]-4-carboxylic acid
CID 94217929
3-ethylspiro[1H-quinazoline-2,1'-cyclopentane]-4-one
CID 3780177
(2S)-2-(3-methylthiophen-2-yl)-3-[[(2S)-oxolan-2-yl]methyl]-1,2-dihydroquinazolin-4-one
CID 41024171
(2S)-2-(5-methylthiophen-2-yl)-3-[[(2S)-oxolan-2-yl]methyl]-1,2-dihydroquinazolin-4-one
CID 41198775
(2R)-2-(5-methylthiophen-2-yl)-3-[[(2R)-oxolan-2-yl]methyl]-1,2-dihydroquinazolin-4-one
CID 41198777
(2R)-2-naphthalen-1-yl-3-[[(2R)-oxolan-2-yl]methyl]-1,2-dihydroquinazolin-4-one
CID 26638752
3-(oxolan-2-ylmethyl)-2-[4-(2-phenoxyethoxy)phenyl]-1,2-dihydroquinazolin-4-one
CID 54780068
(2R)-2-(4-ethylphenyl)-3-[[(2S)-oxolan-2-yl]methyl]-1,2-dihydroquinazolin-4-one
CID 25384441
2-methyl-2-[3-(oxolan-2-ylmethoxy)phenyl]-3-propyl-1H-quinazolin-4-one
CID 54777762

Frequently Asked Questions

What is the IUPAC name of 3-[[(2S)-oxolan-2-yl]methyl]spiro[1H-quinazoline-2,4'-thiane]-4-one?
The IUPAC name of 3-[[(2S)-oxolan-2-yl]methyl]spiro[1H-quinazoline-2,4'-thiane]-4-one (CID 32967722) is 3-[[(2S)-oxolan-2-yl]methyl]spiro[1H-quinazoline-2,4'-thiane]-4-one.
What is the SMILES notation for 3-[[(2S)-oxolan-2-yl]methyl]spiro[1H-quinazoline-2,4'-thiane]-4-one?
The canonical SMILES for 3-[[(2S)-oxolan-2-yl]methyl]spiro[1H-quinazoline-2,4'-thiane]-4-one is O=C1c2ccccc2NC2(CCSCC2)N1C[C@@H]1CCCO1.
What is the InChIKey of 3-[[(2S)-oxolan-2-yl]methyl]spiro[1H-quinazoline-2,4'-thiane]-4-one?
The InChIKey is DNLPSFIELXALJR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H22N2O2S/c20-16-14-5-1-2-6-15(14)18-17(7-10-22-11-8-17)19(16)12-13-4-3-9-21-13/h1-2,5-6,13,18H,3-4,7-12H2/t13-/m0/s1.
What are the key properties of 3-[[(2S)-oxolan-2-yl]methyl]spiro[1H-quinazoline-2,4'-thiane]-4-one?
3-[[(2S)-oxolan-2-yl]methyl]spiro[1H-quinazoline-2,4'-thiane]-4-one has a molecular weight of 318.44 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S)-oxolan-2-yl]methyl]spiro[1H-quinazoline-2,4'-thiane]-4-one is sourced from PubChem (CID 32967722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).