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

C17H14N4O4 — CID 2424716

IUPACN-benzyl-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide
SMILESO=C(Cn1cnc2cc([N+](=O)[O-])ccc2c1=O)NCc1ccccc1
InChIInChI=1S/C17H14N4O4/c22-16(18-9-12-4-2-1-3-5-12)10-20-11-19-15-8-13(21(24)25)6-7-14(15)17(20)23/h1-8,11H,9-10H2,(H,18,22)
InChIKeyYFGZVWRNVDYASK-UHFFFAOYSA-N
MW338.32 g/mol
LogP1.62
Rot. Bonds5

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

N-benzyl-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide (PubChem CID 2424716) has the molecular formula C17H14N4O4 and a molecular weight of 338.32 g/mol. Its IUPAC name is N-benzyl-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide
PubChem CID2424716
Molecular FormulaC17H14N4O4
Molecular Weight338.32 g/mol
Exact Mass338.10
IUPAC NameN-benzyl-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide
SMILESO=C(Cn1cnc2cc([N+](=O)[O-])ccc2c1=O)NCc1ccccc1
InChIInChI=1S/C17H14N4O4/c22-16(18-9-12-4-2-1-3-5-12)10-20-11-19-15-8-13(21(24)25)6-7-14(15)17(20)23/h1-8,11H,9-10H2,(H,18,22)
InChIKeyYFGZVWRNVDYASK-UHFFFAOYSA-N
XLogP1.62
TPSA107.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.32
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-benzyl-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide (CID 2424716) is N-benzyl-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-benzyl-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-benzyl-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide is O=C(Cn1cnc2cc([N+](=O)[O-])ccc2c1=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide?
The InChIKey is YFGZVWRNVDYASK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O4/c22-16(18-9-12-4-2-1-3-5-12)10-20-11-19-15-8-13(21(24)25)6-7-14(15)17(20)23/h1-8,11H,9-10H2,(H,18,22).
What are the key properties of N-benzyl-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide?
N-benzyl-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide has a molecular weight of 338.32 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 2424716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).