3-propan-2-yl-2-[(1-propyltetrazol-5-yl)methylsulfanyl]quinazolin-4-one

C16H20N6OS — CID 8807295

IUPAC3-propan-2-yl-2-[(1-propyltetrazol-5-yl)methylsulfanyl]quinazolin-4-one
SMILESCCCn1nnnc1CSc1nc2ccccc2c(=O)n1C(C)C
InChIInChI=1S/C16H20N6OS/c1-4-9-21-14(18-19-20-21)10-24-16-17-13-8-6-5-7-12(13)15(23)22(16)11(2)3/h5-8,11H,4,9-10H2,1-3H3
InChIKeyQZKIEHLEHFAZRS-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.67
Rot. Bonds6

About 3-propan-2-yl-2-[(1-propyltetrazol-5-yl)methylsulfanyl]quinazolin-4-one

3-propan-2-yl-2-[(1-propyltetrazol-5-yl)methylsulfanyl]quinazolin-4-one (PubChem CID 8807295) has the molecular formula C16H20N6OS and a molecular weight of 344.44 g/mol. Its IUPAC name is 3-propan-2-yl-2-[(1-propyltetrazol-5-yl)methylsulfanyl]quinazolin-4-one.

Molecular Properties

Compound Name3-propan-2-yl-2-[(1-propyltetrazol-5-yl)methylsulfanyl]quinazolin-4-one
PubChem CID8807295
Molecular FormulaC16H20N6OS
Molecular Weight344.44 g/mol
Exact Mass344.14
IUPAC Name3-propan-2-yl-2-[(1-propyltetrazol-5-yl)methylsulfanyl]quinazolin-4-one
SMILESCCCn1nnnc1CSc1nc2ccccc2c(=O)n1C(C)C
InChIInChI=1S/C16H20N6OS/c1-4-9-21-14(18-19-20-21)10-24-16-17-13-8-6-5-7-12(13)15(23)22(16)11(2)3/h5-8,11H,4,9-10H2,1-3H3
InChIKeyQZKIEHLEHFAZRS-UHFFFAOYSA-N
XLogP2.67
TPSA78.49 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

3-[(1R)-1-phenylethyl]-2-[(1-propyltetrazol-5-yl)methylsulfanyl]quinazolin-4-one
CID 8809356
3-[(1S)-1-phenylethyl]-2-[(1-propyltetrazol-5-yl)methylsulfanyl]quinazolin-4-one
CID 8809355
3-(2,4-difluorophenyl)-2-[(1-propyltetrazol-5-yl)methylsulfanyl]quinazolin-4-one
CID 9491393
N,N-dimethyl-4-propan-2-yl-5-[(1-propyltetrazol-5-yl)methylsulfanyl]-1,2,4-triazol-3-amine
CID 56825558
2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-3-propan-2-ylquinazolin-4-one
CID 60564006
2-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]methylsulfanyl]-3-(3-methylbutyl)quinazolin-4-one
CID 60558622
2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-3-propan-2-ylquinazolin-4-one
CID 8532621
2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanyl-N-(1-phenylbutyl)acetamide
CID 55365769
6-bromo-2-[(1-butyltetrazol-5-yl)methylsulfanyl]-3-ethylquinazolin-4-one
CID 55392094
3-propan-2-yl-2-[[4-(2,2,2-trifluoroethoxy)phenyl]methylsulfanyl]quinazolin-4-one
CID 60526435
(2S)-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylpropanamide
CID 7427800
3-methyl-2-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methylsulfanyl]quinazolin-4-one
CID 55988523

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-2-[(1-propyltetrazol-5-yl)methylsulfanyl]quinazolin-4-one?
The IUPAC name of 3-propan-2-yl-2-[(1-propyltetrazol-5-yl)methylsulfanyl]quinazolin-4-one (CID 8807295) is 3-propan-2-yl-2-[(1-propyltetrazol-5-yl)methylsulfanyl]quinazolin-4-one.
What is the SMILES notation for 3-propan-2-yl-2-[(1-propyltetrazol-5-yl)methylsulfanyl]quinazolin-4-one?
The canonical SMILES for 3-propan-2-yl-2-[(1-propyltetrazol-5-yl)methylsulfanyl]quinazolin-4-one is CCCn1nnnc1CSc1nc2ccccc2c(=O)n1C(C)C.
What is the InChIKey of 3-propan-2-yl-2-[(1-propyltetrazol-5-yl)methylsulfanyl]quinazolin-4-one?
The InChIKey is QZKIEHLEHFAZRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6OS/c1-4-9-21-14(18-19-20-21)10-24-16-17-13-8-6-5-7-12(13)15(23)22(16)11(2)3/h5-8,11H,4,9-10H2,1-3H3.
What are the key properties of 3-propan-2-yl-2-[(1-propyltetrazol-5-yl)methylsulfanyl]quinazolin-4-one?
3-propan-2-yl-2-[(1-propyltetrazol-5-yl)methylsulfanyl]quinazolin-4-one has a molecular weight of 344.44 g/mol, XLogP of 2.67, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-2-[(1-propyltetrazol-5-yl)methylsulfanyl]quinazolin-4-one is sourced from PubChem (CID 8807295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).