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

C23H19N7O2S — CID 4894936

IUPACN-(5-oxo-7-phenyl-7,8-dihydro-6H-quinazolin-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
SMILESO=C(CSc1nnnn1-c1ccccc1)Nc1ncc2c(n1)CC(c1ccccc1)CC2=O
InChIInChI=1S/C23H19N7O2S/c31-20-12-16(15-7-3-1-4-8-15)11-19-18(20)13-24-22(25-19)26-21(32)14-33-23-27-28-29-30(23)17-9-5-2-6-10-17/h1-10,13,16H,11-12,14H2,(H,24,25,26,32)
InChIKeyJTXNEBMASZBIGN-UHFFFAOYSA-N
MW457.52 g/mol
LogP3.10
Rot. Bonds6

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

N-(5-oxo-7-phenyl-7,8-dihydro-6H-quinazolin-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide (PubChem CID 4894936) has the molecular formula C23H19N7O2S and a molecular weight of 457.52 g/mol. Its IUPAC name is N-(5-oxo-7-phenyl-7,8-dihydro-6H-quinazolin-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(5-oxo-7-phenyl-7,8-dihydro-6H-quinazolin-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
PubChem CID4894936
Molecular FormulaC23H19N7O2S
Molecular Weight457.52 g/mol
Exact Mass457.13
IUPAC NameN-(5-oxo-7-phenyl-7,8-dihydro-6H-quinazolin-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
SMILESO=C(CSc1nnnn1-c1ccccc1)Nc1ncc2c(n1)CC(c1ccccc1)CC2=O
InChIInChI=1S/C23H19N7O2S/c31-20-12-16(15-7-3-1-4-8-15)11-19-18(20)13-24-22(25-19)26-21(32)14-33-23-27-28-29-30(23)17-9-5-2-6-10-17/h1-10,13,16H,11-12,14H2,(H,24,25,26,32)
InChIKeyJTXNEBMASZBIGN-UHFFFAOYSA-N
XLogP3.10
TPSA115.55 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.52
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-(5-oxo-7-phenyl-7,8-dihydro-6H-quinazolin-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-(5-oxo-7-phenyl-7,8-dihydro-6H-quinazolin-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide (CID 4894936) is N-(5-oxo-7-phenyl-7,8-dihydro-6H-quinazolin-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-(5-oxo-7-phenyl-7,8-dihydro-6H-quinazolin-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-(5-oxo-7-phenyl-7,8-dihydro-6H-quinazolin-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide is O=C(CSc1nnnn1-c1ccccc1)Nc1ncc2c(n1)CC(c1ccccc1)CC2=O.
What is the InChIKey of N-(5-oxo-7-phenyl-7,8-dihydro-6H-quinazolin-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is JTXNEBMASZBIGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N7O2S/c31-20-12-16(15-7-3-1-4-8-15)11-19-18(20)13-24-22(25-19)26-21(32)14-33-23-27-28-29-30(23)17-9-5-2-6-10-17/h1-10,13,16H,11-12,14H2,(H,24,25,26,32).
What are the key properties of N-(5-oxo-7-phenyl-7,8-dihydro-6H-quinazolin-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
N-(5-oxo-7-phenyl-7,8-dihydro-6H-quinazolin-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 457.52 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-oxo-7-phenyl-7,8-dihydro-6H-quinazolin-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 4894936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).