3-(oxolan-2-ylmethyl)-2-[1-(1-phenyltetrazol-5-yl)ethylsulfanyl]quinazolin-4-one

C22H22N6O2S — CID 46435151

IUPAC3-(oxolan-2-ylmethyl)-2-[1-(1-phenyltetrazol-5-yl)ethylsulfanyl]quinazolin-4-one
SMILESCC(Sc1nc2ccccc2c(=O)n1CC1CCCO1)c1nnnn1-c1ccccc1
InChIInChI=1S/C22H22N6O2S/c1-15(20-24-25-26-28(20)16-8-3-2-4-9-16)31-22-23-19-12-6-5-11-18(19)21(29)27(22)14-17-10-7-13-30-17/h2-6,8-9,11-12,15,17H,7,10,13-14H2,1H3
InChIKeySRKIIIUPLGFRIQ-UHFFFAOYSA-N
MW434.53 g/mol
LogP3.40
Rot. Bonds6

About 3-(oxolan-2-ylmethyl)-2-[1-(1-phenyltetrazol-5-yl)ethylsulfanyl]quinazolin-4-one

3-(oxolan-2-ylmethyl)-2-[1-(1-phenyltetrazol-5-yl)ethylsulfanyl]quinazolin-4-one (PubChem CID 46435151) has the molecular formula C22H22N6O2S and a molecular weight of 434.53 g/mol. Its IUPAC name is 3-(oxolan-2-ylmethyl)-2-[1-(1-phenyltetrazol-5-yl)ethylsulfanyl]quinazolin-4-one.

Molecular Properties

Compound Name3-(oxolan-2-ylmethyl)-2-[1-(1-phenyltetrazol-5-yl)ethylsulfanyl]quinazolin-4-one
PubChem CID46435151
Molecular FormulaC22H22N6O2S
Molecular Weight434.53 g/mol
Exact Mass434.15
IUPAC Name3-(oxolan-2-ylmethyl)-2-[1-(1-phenyltetrazol-5-yl)ethylsulfanyl]quinazolin-4-one
SMILESCC(Sc1nc2ccccc2c(=O)n1CC1CCCO1)c1nnnn1-c1ccccc1
InChIInChI=1S/C22H22N6O2S/c1-15(20-24-25-26-28(20)16-8-3-2-4-9-16)31-22-23-19-12-6-5-11-18(19)21(29)27(22)14-17-10-7-13-30-17/h2-6,8-9,11-12,15,17H,7,10,13-14H2,1H3
InChIKeySRKIIIUPLGFRIQ-UHFFFAOYSA-N
XLogP3.40
TPSA87.72 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.53
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 3-(oxolan-2-ylmethyl)-2-[1-(1-phenyltetrazol-5-yl)ethylsulfanyl]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

2-[(1S)-1-(2-chlorophenyl)ethyl]sulfanyl-3-[[(2S)-oxolan-2-yl]methyl]quinazolin-4-one
CID 7515522
2-[1-(2-chlorophenyl)ethylsulfanyl]-3-(oxolan-2-ylmethyl)quinazolin-4-one
CID 4825080
3-[[(2S)-oxolan-2-yl]methyl]-2-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]sulfanylquinazolin-4-one
CID 27716321
(2S)-2-[4-oxo-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanyl-N,N-di(propan-2-yl)propanamide
CID 8550901
(2R)-2-[4-oxo-3-[[(2S)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanyl-2-phenylacetamide
CID 51491195
(2S)-N-benzyl-2-[4-oxo-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanylpropanamide
CID 7869068
2-[(2S)-1-(4-ethylphenyl)-1-oxopropan-2-yl]sulfanyl-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-4-one
CID 7869090
2-[(2S)-1-(4-ethylphenyl)-1-oxopropan-2-yl]sulfanyl-3-[[(2S)-oxolan-2-yl]methyl]quinazolin-4-one
CID 7869088
2-[4-oxo-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanyl-N-prop-2-enylpropanamide
CID 51235119
(2S)-N-(ethylcarbamoyl)-2-[4-oxo-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanylpropanamide
CID 2650528
3-methyl-5-[[4-oxo-3-[[(2S)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanylmethyl]-1-phenylpyrazole-4-carbonitrile
CID 27967242
3-(oxolan-2-ylmethyl)-2-phenacylsulfanylquinazolin-4-one
CID 4249826

Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-2-ylmethyl)-2-[1-(1-phenyltetrazol-5-yl)ethylsulfanyl]quinazolin-4-one?
The IUPAC name of 3-(oxolan-2-ylmethyl)-2-[1-(1-phenyltetrazol-5-yl)ethylsulfanyl]quinazolin-4-one (CID 46435151) is 3-(oxolan-2-ylmethyl)-2-[1-(1-phenyltetrazol-5-yl)ethylsulfanyl]quinazolin-4-one.
What is the SMILES notation for 3-(oxolan-2-ylmethyl)-2-[1-(1-phenyltetrazol-5-yl)ethylsulfanyl]quinazolin-4-one?
The canonical SMILES for 3-(oxolan-2-ylmethyl)-2-[1-(1-phenyltetrazol-5-yl)ethylsulfanyl]quinazolin-4-one is CC(Sc1nc2ccccc2c(=O)n1CC1CCCO1)c1nnnn1-c1ccccc1.
What is the InChIKey of 3-(oxolan-2-ylmethyl)-2-[1-(1-phenyltetrazol-5-yl)ethylsulfanyl]quinazolin-4-one?
The InChIKey is SRKIIIUPLGFRIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O2S/c1-15(20-24-25-26-28(20)16-8-3-2-4-9-16)31-22-23-19-12-6-5-11-18(19)21(29)27(22)14-17-10-7-13-30-17/h2-6,8-9,11-12,15,17H,7,10,13-14H2,1H3.
What are the key properties of 3-(oxolan-2-ylmethyl)-2-[1-(1-phenyltetrazol-5-yl)ethylsulfanyl]quinazolin-4-one?
3-(oxolan-2-ylmethyl)-2-[1-(1-phenyltetrazol-5-yl)ethylsulfanyl]quinazolin-4-one has a molecular weight of 434.53 g/mol, XLogP of 3.40, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-2-ylmethyl)-2-[1-(1-phenyltetrazol-5-yl)ethylsulfanyl]quinazolin-4-one is sourced from PubChem (CID 46435151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).