N-butyl-4-nitro-N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]benzamide

C24H28N4O4 — CID 42713290

IUPACN-butyl-4-nitro-N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]benzamide
SMILESCCCCN(C(=O)c1ccc([N+](=O)[O-])cc1)C(C)c1nc2ccccc2c(=O)n1CCC
InChIInChI=1S/C24H28N4O4/c1-4-6-16-26(23(29)18-11-13-19(14-12-18)28(31)32)17(3)22-25-21-10-8-7-9-20(21)24(30)27(22)15-5-2/h7-14,17H,4-6,15-16H2,1-3H3
InChIKeyZKUXNUABPIFAOC-UHFFFAOYSA-N
MW436.51 g/mol
LogP4.72
Rot. Bonds9

About N-butyl-4-nitro-N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]benzamide

N-butyl-4-nitro-N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]benzamide (PubChem CID 42713290) has the molecular formula C24H28N4O4 and a molecular weight of 436.51 g/mol. Its IUPAC name is N-butyl-4-nitro-N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]benzamide.

Molecular Properties

Compound NameN-butyl-4-nitro-N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]benzamide
PubChem CID42713290
Molecular FormulaC24H28N4O4
Molecular Weight436.51 g/mol
Exact Mass436.21
IUPAC NameN-butyl-4-nitro-N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]benzamide
SMILESCCCCN(C(=O)c1ccc([N+](=O)[O-])cc1)C(C)c1nc2ccccc2c(=O)n1CCC
InChIInChI=1S/C24H28N4O4/c1-4-6-16-26(23(29)18-11-13-19(14-12-18)28(31)32)17(3)22-25-21-10-8-7-9-20(21)24(30)27(22)15-5-2/h7-14,17H,4-6,15-16H2,1-3H3
InChIKeyZKUXNUABPIFAOC-UHFFFAOYSA-N
XLogP4.72
TPSA98.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 54.72
H-Bond Donors ≤ 50
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

4-butyl-N-[(1S)-1-(4-oxo-3-propylquinazolin-2-yl)ethyl]-N-propylbenzamide
CID 7412483
N-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-(2-methylpropyl)-4-nitrobenzamide
CID 42711616
3-benzyl-1-butyl-1-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]urea
CID 42713300
N-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]-4-methyl-3-nitro-N-pentylbenzamide
CID 42716796
4-chloro-N-ethyl-N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]benzamide
CID 42713238
N-[1-[3-(2-bromo-3,5-dimethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-butyl-4-nitrobenzamide
CID 42657685
N-butyl-4-chloro-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]benzamide
CID 42711515
N-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]-4-methyl-N-propylbenzamide
CID 42711673
1-butyl-3-(2,6-dimethylphenyl)-1-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]urea
CID 42713309
N-[2-(dimethylamino)ethyl]-N-[1-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-4-nitrobenzamide
CID 42722847
N-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-4-ethyl-N-propylbenzamide
CID 42711389
4-fluoro-N-[1-[4-oxo-3-[3-oxo-3-(propylamino)propyl]quinazolin-2-yl]ethyl]-N-propylbenzamide
CID 42725664

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-nitro-N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]benzamide?
The IUPAC name of N-butyl-4-nitro-N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]benzamide (CID 42713290) is N-butyl-4-nitro-N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]benzamide.
What is the SMILES notation for N-butyl-4-nitro-N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]benzamide?
The canonical SMILES for N-butyl-4-nitro-N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]benzamide is CCCCN(C(=O)c1ccc([N+](=O)[O-])cc1)C(C)c1nc2ccccc2c(=O)n1CCC.
What is the InChIKey of N-butyl-4-nitro-N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]benzamide?
The InChIKey is ZKUXNUABPIFAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4/c1-4-6-16-26(23(29)18-11-13-19(14-12-18)28(31)32)17(3)22-25-21-10-8-7-9-20(21)24(30)27(22)15-5-2/h7-14,17H,4-6,15-16H2,1-3H3.
What are the key properties of N-butyl-4-nitro-N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]benzamide?
N-butyl-4-nitro-N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]benzamide has a molecular weight of 436.51 g/mol, XLogP of 4.72, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-nitro-N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]benzamide is sourced from PubChem (CID 42713290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).