2-(4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-(1H-1,2,4-triazol-5-yl)acetamide

C15H16N6O2S — CID 46397019

IUPAC2-(4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-(1H-1,2,4-triazol-5-yl)acetamide
SMILESCCCn1c(SCC(=O)Nc2ncn[nH]2)nc2ccccc2c1=O
InChIInChI=1S/C15H16N6O2S/c1-2-7-21-13(23)10-5-3-4-6-11(10)18-15(21)24-8-12(22)19-14-16-9-17-20-14/h3-6,9H,2,7-8H2,1H3,(H2,16,17,19,20,22)
InChIKeyCINOVWCMFLHUJS-UHFFFAOYSA-N
MW344.40 g/mol
LogP1.66
Rot. Bonds6

About 2-(4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-(1H-1,2,4-triazol-5-yl)acetamide

2-(4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-(1H-1,2,4-triazol-5-yl)acetamide (PubChem CID 46397019) has the molecular formula C15H16N6O2S and a molecular weight of 344.40 g/mol. Its IUPAC name is 2-(4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-(1H-1,2,4-triazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-(1H-1,2,4-triazol-5-yl)acetamide
PubChem CID46397019
Molecular FormulaC15H16N6O2S
Molecular Weight344.40 g/mol
Exact Mass344.11
IUPAC Name2-(4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-(1H-1,2,4-triazol-5-yl)acetamide
SMILESCCCn1c(SCC(=O)Nc2ncn[nH]2)nc2ccccc2c1=O
InChIInChI=1S/C15H16N6O2S/c1-2-7-21-13(23)10-5-3-4-6-11(10)18-15(21)24-8-12(22)19-14-16-9-17-20-14/h3-6,9H,2,7-8H2,1H3,(H2,16,17,19,20,22)
InChIKeyCINOVWCMFLHUJS-UHFFFAOYSA-N
XLogP1.66
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.40
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-(4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-(1H-1,2,4-triazol-5-yl)acetamide with MolForge

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Related Compounds

2-[3-[(4-methoxyphenyl)methyl]-4-oxoquinazolin-2-yl]sulfanyl-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 46397007
2-[4-oxo-3-(pyridin-3-ylmethyl)quinazolin-2-yl]sulfanyl-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 46397017
N-(2,6-diethylphenyl)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide
CID 9329899
N-(2-ethoxyphenyl)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide
CID 9329894
2-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 46397020
N-(2-chloro-6-methylphenyl)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide
CID 46925073
2-[[2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetyl]amino]thiophene-3-carboxamide
CID 9329687
N-[(4-fluorophenyl)methyl]-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide
CID 9329634
N-(2-nitrophenyl)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide
CID 9329962
N-(2,4-difluorophenyl)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide
CID 9329888
N-(2-bromo-4-methylphenyl)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide
CID 29154593
2-[3-[2-[2-[2-(4-ethylanilino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]ethyl]-4-oxoquinazolin-2-yl]sulfanyl-N-(4-ethylphenyl)acetamide
CID 46370273

Frequently Asked Questions

What is the IUPAC name of 2-(4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-(1H-1,2,4-triazol-5-yl)acetamide?
The IUPAC name of 2-(4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-(1H-1,2,4-triazol-5-yl)acetamide (CID 46397019) is 2-(4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-(1H-1,2,4-triazol-5-yl)acetamide.
What is the SMILES notation for 2-(4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-(1H-1,2,4-triazol-5-yl)acetamide?
The canonical SMILES for 2-(4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-(1H-1,2,4-triazol-5-yl)acetamide is CCCn1c(SCC(=O)Nc2ncn[nH]2)nc2ccccc2c1=O.
What is the InChIKey of 2-(4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-(1H-1,2,4-triazol-5-yl)acetamide?
The InChIKey is CINOVWCMFLHUJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O2S/c1-2-7-21-13(23)10-5-3-4-6-11(10)18-15(21)24-8-12(22)19-14-16-9-17-20-14/h3-6,9H,2,7-8H2,1H3,(H2,16,17,19,20,22).
What are the key properties of 2-(4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-(1H-1,2,4-triazol-5-yl)acetamide?
2-(4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-(1H-1,2,4-triazol-5-yl)acetamide has a molecular weight of 344.40 g/mol, XLogP of 1.66, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-(1H-1,2,4-triazol-5-yl)acetamide is sourced from PubChem (CID 46397019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).