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

C18H15N5O5 — CID 2078551

IUPACN-(benzylcarbamoyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide
SMILESO=C(Cn1cnc2cc([N+](=O)[O-])ccc2c1=O)NC(=O)NCc1ccccc1
InChIInChI=1S/C18H15N5O5/c24-16(21-18(26)19-9-12-4-2-1-3-5-12)10-22-11-20-15-8-13(23(27)28)6-7-14(15)17(22)25/h1-8,11H,9-10H2,(H2,19,21,24,26)
InChIKeyJFFHHDVOAAKKCW-UHFFFAOYSA-N
MW381.35 g/mol
LogP1.33
Rot. Bonds5

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

N-(benzylcarbamoyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide (PubChem CID 2078551) has the molecular formula C18H15N5O5 and a molecular weight of 381.35 g/mol. Its IUPAC name is N-(benzylcarbamoyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-(benzylcarbamoyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide
PubChem CID2078551
Molecular FormulaC18H15N5O5
Molecular Weight381.35 g/mol
Exact Mass381.11
IUPAC NameN-(benzylcarbamoyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide
SMILESO=C(Cn1cnc2cc([N+](=O)[O-])ccc2c1=O)NC(=O)NCc1ccccc1
InChIInChI=1S/C18H15N5O5/c24-16(21-18(26)19-9-12-4-2-1-3-5-12)10-22-11-20-15-8-13(23(27)28)6-7-14(15)17(22)25/h1-8,11H,9-10H2,(H2,19,21,24,26)
InChIKeyJFFHHDVOAAKKCW-UHFFFAOYSA-N
XLogP1.33
TPSA136.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.35
LogP ≤ 51.33
H-Bond Donors ≤ 52
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'}

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Frequently Asked Questions

What is the IUPAC name of N-(benzylcarbamoyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-(benzylcarbamoyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide (CID 2078551) is N-(benzylcarbamoyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-(benzylcarbamoyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-(benzylcarbamoyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide is O=C(Cn1cnc2cc([N+](=O)[O-])ccc2c1=O)NC(=O)NCc1ccccc1.
What is the InChIKey of N-(benzylcarbamoyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide?
The InChIKey is JFFHHDVOAAKKCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O5/c24-16(21-18(26)19-9-12-4-2-1-3-5-12)10-22-11-20-15-8-13(23(27)28)6-7-14(15)17(22)25/h1-8,11H,9-10H2,(H2,19,21,24,26).
What are the key properties of N-(benzylcarbamoyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide?
N-(benzylcarbamoyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide has a molecular weight of 381.35 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzylcarbamoyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 2078551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).