N-(7-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide

C13H15N7O2S — CID 17027668

IUPACN-(7-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
SMILESCC1CC(=O)c2cnc(NC(=O)CSc3nnnn3C)nc2C1
InChIInChI=1S/C13H15N7O2S/c1-7-3-9-8(10(21)4-7)5-14-12(15-9)16-11(22)6-23-13-17-18-19-20(13)2/h5,7H,3-4,6H2,1-2H3,(H,14,15,16,22)
InChIKeyPKQLEKPRIZZUDI-UHFFFAOYSA-N
MW333.38 g/mol
LogP0.50
Rot. Bonds4

About N-(7-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide

N-(7-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide (PubChem CID 17027668) has the molecular formula C13H15N7O2S and a molecular weight of 333.38 g/mol. Its IUPAC name is N-(7-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(7-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
PubChem CID17027668
Molecular FormulaC13H15N7O2S
Molecular Weight333.38 g/mol
Exact Mass333.10
IUPAC NameN-(7-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
SMILESCC1CC(=O)c2cnc(NC(=O)CSc3nnnn3C)nc2C1
InChIInChI=1S/C13H15N7O2S/c1-7-3-9-8(10(21)4-7)5-14-12(15-9)16-11(22)6-23-13-17-18-19-20(13)2/h5,7H,3-4,6H2,1-2H3,(H,14,15,16,22)
InChIKeyPKQLEKPRIZZUDI-UHFFFAOYSA-N
XLogP0.50
TPSA115.55 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.38
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-(7-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide with MolForge

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Related Compounds

2-Oxo-2-[(5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl)amino]ethyl piperidine-1-carbodithioate
CID 1996421
N-(7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl)-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetamide
CID 666596
N-[(2Z)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinazolin-2(1H)-ylidene]pentanamide
CID 1594930
8,8-dimethyl-2-(methylsulfanyl)-8,9-dihydro[1,2,4]triazolo[1,5-a]quinazolin-6(7H)-one
CID 1473220
N-(7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 1844484
2-Oxo-2-[(5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl)amino]ethyl diethylcarbamodithioate
CID 3896874
2-[(7,7-Dimethyl-5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl)amino]-2-oxoethyl piperidine-1-carbodithioate
CID 2013996
2-[(7,7-Dimethyl-5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl)amino]-2-oxoethyl diethylcarbamodithioate
CID 4005131
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl)acetamide
CID 665464
2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N-(5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl)acetamide
CID 666505
N-(7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-2-quinazolinyl)cyclopentanecarboxamide
CID 743130
Propanamide, N-(5,6,7,8-tetrahydro-7,7-dimethyl-5-oxoquinazolin-2-yl)-
CID 585586

Frequently Asked Questions

What is the IUPAC name of N-(7-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-(7-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide (CID 17027668) is N-(7-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-(7-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-(7-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide is CC1CC(=O)c2cnc(NC(=O)CSc3nnnn3C)nc2C1.
What is the InChIKey of N-(7-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is PKQLEKPRIZZUDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N7O2S/c1-7-3-9-8(10(21)4-7)5-14-12(15-9)16-11(22)6-23-13-17-18-19-20(13)2/h5,7H,3-4,6H2,1-2H3,(H,14,15,16,22).
What are the key properties of N-(7-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
N-(7-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 333.38 g/mol, XLogP of 0.50, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 17027668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).