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

C20H20N4O4 — CID 2485179

IUPACN-(2-tert-butylphenyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide
SMILESCC(C)(C)c1ccccc1NC(=O)Cn1cnc2cc([N+](=O)[O-])ccc2c1=O
InChIInChI=1S/C20H20N4O4/c1-20(2,3)15-6-4-5-7-16(15)22-18(25)11-23-12-21-17-10-13(24(27)28)8-9-14(17)19(23)26/h4-10,12H,11H2,1-3H3,(H,22,25)
InChIKeyWXHFDQKFILQBAM-UHFFFAOYSA-N
MW380.40 g/mol
LogP3.24
Rot. Bonds4

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

N-(2-tert-butylphenyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide (PubChem CID 2485179) has the molecular formula C20H20N4O4 and a molecular weight of 380.40 g/mol. Its IUPAC name is N-(2-tert-butylphenyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-(2-tert-butylphenyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide
PubChem CID2485179
Molecular FormulaC20H20N4O4
Molecular Weight380.40 g/mol
Exact Mass380.15
IUPAC NameN-(2-tert-butylphenyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide
SMILESCC(C)(C)c1ccccc1NC(=O)Cn1cnc2cc([N+](=O)[O-])ccc2c1=O
InChIInChI=1S/C20H20N4O4/c1-20(2,3)15-6-4-5-7-16(15)22-18(25)11-23-12-21-17-10-13(24(27)28)8-9-14(17)19(23)26/h4-10,12H,11H2,1-3H3,(H,22,25)
InChIKeyWXHFDQKFILQBAM-UHFFFAOYSA-N
XLogP3.24
TPSA107.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 53.24
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-(2-methoxy-5-nitrophenyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide
CID 4034361
N-(2,6-dimethylphenyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide
CID 84602357
N-(tert-butylcarbamoyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide
CID 3527118
N,N-dimethyl-4-[[2-(7-nitro-4-oxoquinazolin-3-yl)acetyl]amino]benzamide
CID 55308132
N-[(2,4-dimethylphenyl)carbamoyl]-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide
CID 55308269
N-(2-fluorophenyl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide
CID 4826132
N-butyl-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide
CID 3933084
N-(2,5-diethoxyphenyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide
CID 55465483
N-(4-methylsulfonylphenyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide
CID 55465478
N-(2-ethylphenyl)-2-[4-[2-(7-nitro-4-oxoquinazolin-3-yl)acetyl]piperazin-1-yl]acetamide
CID 55578336
N-(3,3-diphenylpropyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide
CID 2540751
N-(3-cyanophenyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide
CID 84602361

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylphenyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-(2-tert-butylphenyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide (CID 2485179) is N-(2-tert-butylphenyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-(2-tert-butylphenyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-(2-tert-butylphenyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide is CC(C)(C)c1ccccc1NC(=O)Cn1cnc2cc([N+](=O)[O-])ccc2c1=O.
What is the InChIKey of N-(2-tert-butylphenyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide?
The InChIKey is WXHFDQKFILQBAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4/c1-20(2,3)15-6-4-5-7-16(15)22-18(25)11-23-12-21-17-10-13(24(27)28)8-9-14(17)19(23)26/h4-10,12H,11H2,1-3H3,(H,22,25).
What are the key properties of N-(2-tert-butylphenyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide?
N-(2-tert-butylphenyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide has a molecular weight of 380.40 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylphenyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 2485179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).