N-(2,5-diethoxyphenyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide

C20H20N4O6 — CID 55465483

IUPACN-(2,5-diethoxyphenyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide
SMILESCCOc1ccc(OCC)c(NC(=O)Cn2cnc3cc([N+](=O)[O-])ccc3c2=O)c1
InChIInChI=1S/C20H20N4O6/c1-3-29-14-6-8-18(30-4-2)17(10-14)22-19(25)11-23-12-21-16-9-13(24(27)28)5-7-15(16)20(23)26/h5-10,12H,3-4,11H2,1-2H3,(H,22,25)
InChIKeyOITBWHPZYSABQG-UHFFFAOYSA-N
MW412.40 g/mol
LogP2.74
Rot. Bonds8

About N-(2,5-diethoxyphenyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide

N-(2,5-diethoxyphenyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide (PubChem CID 55465483) has the molecular formula C20H20N4O6 and a molecular weight of 412.40 g/mol. Its IUPAC name is N-(2,5-diethoxyphenyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-(2,5-diethoxyphenyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide
PubChem CID55465483
Molecular FormulaC20H20N4O6
Molecular Weight412.40 g/mol
Exact Mass412.14
IUPAC NameN-(2,5-diethoxyphenyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide
SMILESCCOc1ccc(OCC)c(NC(=O)Cn2cnc3cc([N+](=O)[O-])ccc3c2=O)c1
InChIInChI=1S/C20H20N4O6/c1-3-29-14-6-8-18(30-4-2)17(10-14)22-19(25)11-23-12-21-16-9-13(24(27)28)5-7-15(16)20(23)26/h5-10,12H,3-4,11H2,1-2H3,(H,22,25)
InChIKeyOITBWHPZYSABQG-UHFFFAOYSA-N
XLogP2.74
TPSA125.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.40
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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-(2-methoxy-5-nitrophenyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide
CID 4034361
N-(2-tert-butylphenyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide
CID 2485179
N-(2,6-dimethylphenyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide
CID 84602357
N-(2,5-diethoxyphenyl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 41295505
N-butyl-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide
CID 3933084
N-(5-chloro-2-methoxyphenyl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide
CID 7227403
2-(6-fluoro-4-oxoquinazolin-3-yl)-N-(2-methoxy-5-nitrophenyl)acetamide
CID 55582449
N-(4-methylsulfonylphenyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide
CID 55465478
ethyl 3-methyl-5-[[2-(7-nitro-4-oxoquinazolin-3-yl)acetyl]amino]thiophene-2-carboxylate
CID 55465085
N-(tert-butylcarbamoyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide
CID 3527118
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(4-ethoxy-2-nitrophenyl)acetamide
CID 30763526
N,N-dimethyl-4-[[2-(7-nitro-4-oxoquinazolin-3-yl)acetyl]amino]benzamide
CID 55308132

Frequently Asked Questions

What is the IUPAC name of N-(2,5-diethoxyphenyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-(2,5-diethoxyphenyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide (CID 55465483) is N-(2,5-diethoxyphenyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-(2,5-diethoxyphenyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-(2,5-diethoxyphenyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide is CCOc1ccc(OCC)c(NC(=O)Cn2cnc3cc([N+](=O)[O-])ccc3c2=O)c1.
What is the InChIKey of N-(2,5-diethoxyphenyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide?
The InChIKey is OITBWHPZYSABQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O6/c1-3-29-14-6-8-18(30-4-2)17(10-14)22-19(25)11-23-12-21-16-9-13(24(27)28)5-7-15(16)20(23)26/h5-10,12H,3-4,11H2,1-2H3,(H,22,25).
What are the key properties of N-(2,5-diethoxyphenyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide?
N-(2,5-diethoxyphenyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide has a molecular weight of 412.40 g/mol, XLogP of 2.74, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-diethoxyphenyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 55465483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).