2-(7-nitro-4-oxoquinazolin-3-yl)-N-(3-sulfamoylphenyl)acetamide

C16H13N5O6S — CID 55308255

IUPAC2-(7-nitro-4-oxoquinazolin-3-yl)-N-(3-sulfamoylphenyl)acetamide
SMILESNS(=O)(=O)c1cccc(NC(=O)Cn2cnc3cc([N+](=O)[O-])ccc3c2=O)c1
InChIInChI=1S/C16H13N5O6S/c17-28(26,27)12-3-1-2-10(6-12)19-15(22)8-20-9-18-14-7-11(21(24)25)4-5-13(14)16(20)23/h1-7,9H,8H2,(H,19,22)(H2,17,26,27)
InChIKeyNVDBJIXFGFHEHO-UHFFFAOYSA-N
MW403.38 g/mol
LogP0.59
Rot. Bonds5

About 2-(7-nitro-4-oxoquinazolin-3-yl)-N-(3-sulfamoylphenyl)acetamide

2-(7-nitro-4-oxoquinazolin-3-yl)-N-(3-sulfamoylphenyl)acetamide (PubChem CID 55308255) has the molecular formula C16H13N5O6S and a molecular weight of 403.38 g/mol. Its IUPAC name is 2-(7-nitro-4-oxoquinazolin-3-yl)-N-(3-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-(7-nitro-4-oxoquinazolin-3-yl)-N-(3-sulfamoylphenyl)acetamide
PubChem CID55308255
Molecular FormulaC16H13N5O6S
Molecular Weight403.38 g/mol
Exact Mass403.06
IUPAC Name2-(7-nitro-4-oxoquinazolin-3-yl)-N-(3-sulfamoylphenyl)acetamide
SMILESNS(=O)(=O)c1cccc(NC(=O)Cn2cnc3cc([N+](=O)[O-])ccc3c2=O)c1
InChIInChI=1S/C16H13N5O6S/c17-28(26,27)12-3-1-2-10(6-12)19-15(22)8-20-9-18-14-7-11(21(24)25)4-5-13(14)16(20)23/h1-7,9H,8H2,(H,19,22)(H2,17,26,27)
InChIKeyNVDBJIXFGFHEHO-UHFFFAOYSA-N
XLogP0.59
TPSA167.29 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.38
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-cyanophenyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide
CID 84602361
N-(4-methylsulfonylphenyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide
CID 55465478
N-(2,6-dimethylphenyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide
CID 84602357
N-(3-morpholin-4-ylsulfonylphenyl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide
CID 55307287
N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide
CID 55379185
N,N-dimethyl-4-[[2-(7-nitro-4-oxoquinazolin-3-yl)acetyl]amino]benzamide
CID 55308132
2-(6-chloro-4-oxoquinazolin-3-yl)-N-(3-nitrophenyl)acetamide
CID 9355985
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide
CID 55308254
2-(6-nitro-4-oxoquinazolin-3-yl)-N-(3-propan-2-ylphenyl)acetamide
CID 51286316
N-(2-tert-butylphenyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide
CID 2485179
N-(2-methoxy-5-nitrophenyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide
CID 4034361
N-cyclopropyl-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide
CID 5131642

Frequently Asked Questions

What is the IUPAC name of 2-(7-nitro-4-oxoquinazolin-3-yl)-N-(3-sulfamoylphenyl)acetamide?
The IUPAC name of 2-(7-nitro-4-oxoquinazolin-3-yl)-N-(3-sulfamoylphenyl)acetamide (CID 55308255) is 2-(7-nitro-4-oxoquinazolin-3-yl)-N-(3-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-(7-nitro-4-oxoquinazolin-3-yl)-N-(3-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-(7-nitro-4-oxoquinazolin-3-yl)-N-(3-sulfamoylphenyl)acetamide is NS(=O)(=O)c1cccc(NC(=O)Cn2cnc3cc([N+](=O)[O-])ccc3c2=O)c1.
What is the InChIKey of 2-(7-nitro-4-oxoquinazolin-3-yl)-N-(3-sulfamoylphenyl)acetamide?
The InChIKey is NVDBJIXFGFHEHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O6S/c17-28(26,27)12-3-1-2-10(6-12)19-15(22)8-20-9-18-14-7-11(21(24)25)4-5-13(14)16(20)23/h1-7,9H,8H2,(H,19,22)(H2,17,26,27).
What are the key properties of 2-(7-nitro-4-oxoquinazolin-3-yl)-N-(3-sulfamoylphenyl)acetamide?
2-(7-nitro-4-oxoquinazolin-3-yl)-N-(3-sulfamoylphenyl)acetamide has a molecular weight of 403.38 g/mol, XLogP of 0.59, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-nitro-4-oxoquinazolin-3-yl)-N-(3-sulfamoylphenyl)acetamide is sourced from PubChem (CID 55308255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).