N-(3-nitrophenyl)-2-[2-[4-(1,2,4-triazol-1-yl)phenyl]quinazolin-4-yl]oxyacetamide

C24H17N7O4 — CID 135121639

IUPACN-(3-nitrophenyl)-2-[2-[4-(1,2,4-triazol-1-yl)phenyl]quinazolin-4-yl]oxyacetamide
SMILESO=C(COc1nc(-c2ccc(-n3cncn3)cc2)nc2ccccc12)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C24H17N7O4/c32-22(27-17-4-3-5-19(12-17)31(33)34)13-35-24-20-6-1-2-7-21(20)28-23(29-24)16-8-10-18(11-9-16)30-15-25-14-26-30/h1-12,14-15H,13H2,(H,27,32)
InChIKeyZLEASKUMSUWFBZ-UHFFFAOYSA-N
MW467.45 g/mol
LogP3.80
Rot. Bonds7

About N-(3-nitrophenyl)-2-[2-[4-(1,2,4-triazol-1-yl)phenyl]quinazolin-4-yl]oxyacetamide

N-(3-nitrophenyl)-2-[2-[4-(1,2,4-triazol-1-yl)phenyl]quinazolin-4-yl]oxyacetamide (PubChem CID 135121639) has the molecular formula C24H17N7O4 and a molecular weight of 467.45 g/mol. Its IUPAC name is N-(3-nitrophenyl)-2-[2-[4-(1,2,4-triazol-1-yl)phenyl]quinazolin-4-yl]oxyacetamide.

Molecular Properties

Compound NameN-(3-nitrophenyl)-2-[2-[4-(1,2,4-triazol-1-yl)phenyl]quinazolin-4-yl]oxyacetamide
PubChem CID135121639
Molecular FormulaC24H17N7O4
Molecular Weight467.45 g/mol
Exact Mass467.13
IUPAC NameN-(3-nitrophenyl)-2-[2-[4-(1,2,4-triazol-1-yl)phenyl]quinazolin-4-yl]oxyacetamide
SMILESO=C(COc1nc(-c2ccc(-n3cncn3)cc2)nc2ccccc12)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C24H17N7O4/c32-22(27-17-4-3-5-19(12-17)31(33)34)13-35-24-20-6-1-2-7-21(20)28-23(29-24)16-8-10-18(11-9-16)30-15-25-14-26-30/h1-12,14-15H,13H2,(H,27,32)
InChIKeyZLEASKUMSUWFBZ-UHFFFAOYSA-N
XLogP3.80
TPSA137.96 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.45
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze N-(3-nitrophenyl)-2-[2-[4-(1,2,4-triazol-1-yl)phenyl]quinazolin-4-yl]oxyacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[4-(1,2,4-triazol-1-yl)phenyl]quinazolin-4-yl]oxy-N-[4-(trifluoromethyl)phenyl]acetamide
CID 135121646
N-(3-nitrophenyl)-2-(2-phenylquinazolin-4-yl)sulfanylacetamide
CID 3134201
2-(2-naphthalen-1-ylquinazolin-4-yl)oxy-N-phenylacetamide
CID 14894058
[2-(3-nitroanilino)-2-oxoethyl] benzimidazole-1-carboxylate
CID 4033022
N-(3-nitrophenyl)-2-(2-phenylphenoxy)acetamide
CID 7779991
2-(4,6-diphenylpyrimidin-2-yl)sulfanyl-N-(3-nitrophenyl)acetamide
CID 1338155
2-(3-nitrophenoxy)-N-(3-phenoxyphenyl)acetamide
CID 51480450
[2-(3-nitroanilino)-2-oxoethyl] 2-(methoxymethyl)-4-methylquinoline-3-carboxylate
CID 18144447
2-(4-methoxyphenoxy)-N-(3-nitrophenyl)acetamide
CID 690203
[2-(3-nitroanilino)-2-oxoethyl] pyridine-4-carboxylate
CID 7788413
N-(4-nitrophenyl)-2-(2-phenylquinazolin-4-yl)sulfanylacetamide
CID 3134204
N-(3-nitrophenyl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide
CID 7502592

Frequently Asked Questions

What is the IUPAC name of N-(3-nitrophenyl)-2-[2-[4-(1,2,4-triazol-1-yl)phenyl]quinazolin-4-yl]oxyacetamide?
The IUPAC name of N-(3-nitrophenyl)-2-[2-[4-(1,2,4-triazol-1-yl)phenyl]quinazolin-4-yl]oxyacetamide (CID 135121639) is N-(3-nitrophenyl)-2-[2-[4-(1,2,4-triazol-1-yl)phenyl]quinazolin-4-yl]oxyacetamide.
What is the SMILES notation for N-(3-nitrophenyl)-2-[2-[4-(1,2,4-triazol-1-yl)phenyl]quinazolin-4-yl]oxyacetamide?
The canonical SMILES for N-(3-nitrophenyl)-2-[2-[4-(1,2,4-triazol-1-yl)phenyl]quinazolin-4-yl]oxyacetamide is O=C(COc1nc(-c2ccc(-n3cncn3)cc2)nc2ccccc12)Nc1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-(3-nitrophenyl)-2-[2-[4-(1,2,4-triazol-1-yl)phenyl]quinazolin-4-yl]oxyacetamide?
The InChIKey is ZLEASKUMSUWFBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N7O4/c32-22(27-17-4-3-5-19(12-17)31(33)34)13-35-24-20-6-1-2-7-21(20)28-23(29-24)16-8-10-18(11-9-16)30-15-25-14-26-30/h1-12,14-15H,13H2,(H,27,32).
What are the key properties of N-(3-nitrophenyl)-2-[2-[4-(1,2,4-triazol-1-yl)phenyl]quinazolin-4-yl]oxyacetamide?
N-(3-nitrophenyl)-2-[2-[4-(1,2,4-triazol-1-yl)phenyl]quinazolin-4-yl]oxyacetamide has a molecular weight of 467.45 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-nitrophenyl)-2-[2-[4-(1,2,4-triazol-1-yl)phenyl]quinazolin-4-yl]oxyacetamide is sourced from PubChem (CID 135121639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).