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

C13H12N4O4 — CID 5131642

IUPACN-cyclopropyl-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide
SMILESO=C(Cn1cnc2cc([N+](=O)[O-])ccc2c1=O)NC1CC1
InChIInChI=1S/C13H12N4O4/c18-12(15-8-1-2-8)6-16-7-14-11-5-9(17(20)21)3-4-10(11)13(16)19/h3-5,7-8H,1-2,6H2,(H,15,18)
InChIKeyHOCFIZIXVYVLFC-UHFFFAOYSA-N
MW288.26 g/mol
LogP0.58
Rot. Bonds4

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

N-cyclopropyl-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide (PubChem CID 5131642) has the molecular formula C13H12N4O4 and a molecular weight of 288.26 g/mol. Its IUPAC name is N-cyclopropyl-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide
PubChem CID5131642
Molecular FormulaC13H12N4O4
Molecular Weight288.26 g/mol
Exact Mass288.09
IUPAC NameN-cyclopropyl-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide
SMILESO=C(Cn1cnc2cc([N+](=O)[O-])ccc2c1=O)NC1CC1
InChIInChI=1S/C13H12N4O4/c18-12(15-8-1-2-8)6-16-7-14-11-5-9(17(20)21)3-4-10(11)13(16)19/h3-5,7-8H,1-2,6H2,(H,15,18)
InChIKeyHOCFIZIXVYVLFC-UHFFFAOYSA-N
XLogP0.58
TPSA107.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.26
LogP ≤ 50.58
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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Related Compounds

N-[(3S)-1,1-dioxothiolan-3-yl]-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide
CID 6600513
N-(cyclopentylcarbamoyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide
CID 4636840
N-cyclopentyl-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide
CID 7227373
N-(3,4-dihydro-2H-chromen-4-yl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide
CID 78789549
N-butyl-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide
CID 3933084
2-(7-bromo-4-oxoquinazolin-3-yl)-N-cyclopentylacetamide
CID 78961186
N-(tert-butylcarbamoyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide
CID 3527118
N-[(4-chlorophenyl)methyl]-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide
CID 2084381
N-(2,6-dimethylphenyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide
CID 84602357
N-(2-methoxy-5-nitrophenyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide
CID 4034361
N-(4-methylsulfonylphenyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide
CID 55465478
N-(3,3-diphenylpropyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide
CID 2540751

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-cyclopropyl-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide (CID 5131642) is N-cyclopropyl-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-cyclopropyl-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-cyclopropyl-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide is O=C(Cn1cnc2cc([N+](=O)[O-])ccc2c1=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide?
The InChIKey is HOCFIZIXVYVLFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O4/c18-12(15-8-1-2-8)6-16-7-14-11-5-9(17(20)21)3-4-10(11)13(16)19/h3-5,7-8H,1-2,6H2,(H,15,18).
What are the key properties of N-cyclopropyl-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide?
N-cyclopropyl-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide has a molecular weight of 288.26 g/mol, XLogP of 0.58, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 5131642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).