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

C17H11N5O4 — CID 84602361

IUPACN-(3-cyanophenyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide
SMILESN#Cc1cccc(NC(=O)Cn2cnc3cc([N+](=O)[O-])ccc3c2=O)c1
InChIInChI=1S/C17H11N5O4/c18-8-11-2-1-3-12(6-11)20-16(23)9-21-10-19-15-7-13(22(25)26)4-5-14(15)17(21)24/h1-7,10H,9H2,(H,20,23)
InChIKeyLOMQNFBNEPDHTP-UHFFFAOYSA-N
MW349.31 g/mol
LogP1.82
Rot. Bonds4

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

N-(3-cyanophenyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide (PubChem CID 84602361) has the molecular formula C17H11N5O4 and a molecular weight of 349.31 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide
PubChem CID84602361
Molecular FormulaC17H11N5O4
Molecular Weight349.31 g/mol
Exact Mass349.08
IUPAC NameN-(3-cyanophenyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide
SMILESN#Cc1cccc(NC(=O)Cn2cnc3cc([N+](=O)[O-])ccc3c2=O)c1
InChIInChI=1S/C17H11N5O4/c18-8-11-2-1-3-12(6-11)20-16(23)9-21-10-19-15-7-13(22(25)26)4-5-14(15)17(21)24/h1-7,10H,9H2,(H,20,23)
InChIKeyLOMQNFBNEPDHTP-UHFFFAOYSA-N
XLogP1.82
TPSA130.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.31
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-(3-cyanophenyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide 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-(7-chloro-4-oxoquinazolin-3-yl)-N-(3-cyanophenyl)acetamide
CID 1280269
2-(7-nitro-4-oxoquinazolin-3-yl)-N-(3-sulfamoylphenyl)acetamide
CID 55308255
N-(2,6-dimethylphenyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide
CID 84602357
N-(4-methylsulfonylphenyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide
CID 55465478
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
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
N-(3,4-dichlorophenyl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide
CID 84601847

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-(3-cyanophenyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide (CID 84602361) is N-(3-cyanophenyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-(3-cyanophenyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide is N#Cc1cccc(NC(=O)Cn2cnc3cc([N+](=O)[O-])ccc3c2=O)c1.
What is the InChIKey of N-(3-cyanophenyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide?
The InChIKey is LOMQNFBNEPDHTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N5O4/c18-8-11-2-1-3-12(6-11)20-16(23)9-21-10-19-15-7-13(22(25)26)4-5-14(15)17(21)24/h1-7,10H,9H2,(H,20,23).
What are the key properties of N-(3-cyanophenyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide?
N-(3-cyanophenyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide has a molecular weight of 349.31 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 84602361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).