2-[[(2R)-oxolan-2-yl]methylsulfanyl]-3-(3-phenylpropyl)quinazolin-4-one

C22H24N2O2S — CID 8602777

IUPAC2-[[(2R)-oxolan-2-yl]methylsulfanyl]-3-(3-phenylpropyl)quinazolin-4-one
SMILESO=c1c2ccccc2nc(SC[C@H]2CCCO2)n1CCCc1ccccc1
InChIInChI=1S/C22H24N2O2S/c25-21-19-12-4-5-13-20(19)23-22(27-16-18-11-7-15-26-18)24(21)14-6-10-17-8-2-1-3-9-17/h1-5,8-9,12-13,18H,6-7,10-11,14-16H2/t18-/m1/s1
InChIKeyRXTMFGHGPCGAPC-GOSISDBHSA-N
MW380.51 g/mol
LogP4.30
Rot. Bonds7

About 2-[[(2R)-oxolan-2-yl]methylsulfanyl]-3-(3-phenylpropyl)quinazolin-4-one

2-[[(2R)-oxolan-2-yl]methylsulfanyl]-3-(3-phenylpropyl)quinazolin-4-one (PubChem CID 8602777) has the molecular formula C22H24N2O2S and a molecular weight of 380.51 g/mol. Its IUPAC name is 2-[[(2R)-oxolan-2-yl]methylsulfanyl]-3-(3-phenylpropyl)quinazolin-4-one.

Molecular Properties

Compound Name2-[[(2R)-oxolan-2-yl]methylsulfanyl]-3-(3-phenylpropyl)quinazolin-4-one
PubChem CID8602777
Molecular FormulaC22H24N2O2S
Molecular Weight380.51 g/mol
Exact Mass380.16
IUPAC Name2-[[(2R)-oxolan-2-yl]methylsulfanyl]-3-(3-phenylpropyl)quinazolin-4-one
SMILESO=c1c2ccccc2nc(SC[C@H]2CCCO2)n1CCCc1ccccc1
InChIInChI=1S/C22H24N2O2S/c25-21-19-12-4-5-13-20(19)23-22(27-16-18-11-7-15-26-18)24(21)14-6-10-17-8-2-1-3-9-17/h1-5,8-9,12-13,18H,6-7,10-11,14-16H2/t18-/m1/s1
InChIKeyRXTMFGHGPCGAPC-GOSISDBHSA-N
XLogP4.30
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[[(2R)-oxolan-2-yl]methylsulfanyl]-3-(3-phenylpropyl)quinazolin-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-[(4-chlorophenyl)methyl]-2-[[(2R)-oxolan-2-yl]methylsulfanyl]quinazolin-4-one
CID 42054654
2-(oxolan-2-ylmethylsulfanyl)-3-prop-2-enylquinazolin-4-one
CID 78761732
3-[(4-chlorophenyl)methyl]-2-(oxan-2-ylmethylsulfanyl)quinazolin-4-one
CID 5211736
3-[(2-chlorophenyl)methyl]-2-[[(2S)-oxolan-2-yl]methylsulfanyl]quinazolin-4-one
CID 42054679
N-(oxolan-2-ylmethyl)-2-[4-oxo-3-[3-[4-oxo-2-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]sulfanylquinazolin-3-yl]propyl]quinazolin-2-yl]sulfanylacetamide
CID 46370314
2-(oxolan-2-ylmethylsulfanyl)-3-(2-propan-2-ylphenyl)quinazolin-4-one
CID 16533643
3-[4-oxo-2-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]sulfanylquinazolin-3-yl]-N-(2-phenylethyl)propanamide
CID 92694655
3-(oxolan-2-ylmethyl)-2-phenacylsulfanylquinazolin-4-one
CID 4249826
2-(2-oxocycloheptyl)sulfanyl-3-(3-phenylpropyl)quinazolin-4-one
CID 43055116
3-(oxolan-2-ylmethyl)-2-(pyridin-4-ylmethylsulfanyl)quinazolin-4-one
CID 5099069
3-(5-methyl-2-pyridinyl)-2-[[(2S)-oxolan-2-yl]methylsulfanyl]quinazolin-4-one
CID 95737542
2-[(4-chlorophenyl)methylsulfanyl]-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-4-one
CID 7515458

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-oxolan-2-yl]methylsulfanyl]-3-(3-phenylpropyl)quinazolin-4-one?
The IUPAC name of 2-[[(2R)-oxolan-2-yl]methylsulfanyl]-3-(3-phenylpropyl)quinazolin-4-one (CID 8602777) is 2-[[(2R)-oxolan-2-yl]methylsulfanyl]-3-(3-phenylpropyl)quinazolin-4-one.
What is the SMILES notation for 2-[[(2R)-oxolan-2-yl]methylsulfanyl]-3-(3-phenylpropyl)quinazolin-4-one?
The canonical SMILES for 2-[[(2R)-oxolan-2-yl]methylsulfanyl]-3-(3-phenylpropyl)quinazolin-4-one is O=c1c2ccccc2nc(SC[C@H]2CCCO2)n1CCCc1ccccc1.
What is the InChIKey of 2-[[(2R)-oxolan-2-yl]methylsulfanyl]-3-(3-phenylpropyl)quinazolin-4-one?
The InChIKey is RXTMFGHGPCGAPC-GOSISDBHSA-N. The full InChI is InChI=1S/C22H24N2O2S/c25-21-19-12-4-5-13-20(19)23-22(27-16-18-11-7-15-26-18)24(21)14-6-10-17-8-2-1-3-9-17/h1-5,8-9,12-13,18H,6-7,10-11,14-16H2/t18-/m1/s1.
What are the key properties of 2-[[(2R)-oxolan-2-yl]methylsulfanyl]-3-(3-phenylpropyl)quinazolin-4-one?
2-[[(2R)-oxolan-2-yl]methylsulfanyl]-3-(3-phenylpropyl)quinazolin-4-one has a molecular weight of 380.51 g/mol, XLogP of 4.30, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-oxolan-2-yl]methylsulfanyl]-3-(3-phenylpropyl)quinazolin-4-one is sourced from PubChem (CID 8602777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).