2-(6-nitro-4-oxoquinazolin-3-yl)-N-(3-propan-2-ylphenyl)acetamide

C19H18N4O4 — CID 51286316

IUPAC2-(6-nitro-4-oxoquinazolin-3-yl)-N-(3-propan-2-ylphenyl)acetamide
SMILESCC(C)c1cccc(NC(=O)Cn2cnc3ccc([N+](=O)[O-])cc3c2=O)c1
InChIInChI=1S/C19H18N4O4/c1-12(2)13-4-3-5-14(8-13)21-18(24)10-22-11-20-17-7-6-15(23(26)27)9-16(17)19(22)25/h3-9,11-12H,10H2,1-2H3,(H,21,24)
InChIKeyTYRVZICSJGOZOZ-UHFFFAOYSA-N
MW366.38 g/mol
LogP3.07
Rot. Bonds5

About 2-(6-nitro-4-oxoquinazolin-3-yl)-N-(3-propan-2-ylphenyl)acetamide

2-(6-nitro-4-oxoquinazolin-3-yl)-N-(3-propan-2-ylphenyl)acetamide (PubChem CID 51286316) has the molecular formula C19H18N4O4 and a molecular weight of 366.38 g/mol. Its IUPAC name is 2-(6-nitro-4-oxoquinazolin-3-yl)-N-(3-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(6-nitro-4-oxoquinazolin-3-yl)-N-(3-propan-2-ylphenyl)acetamide
PubChem CID51286316
Molecular FormulaC19H18N4O4
Molecular Weight366.38 g/mol
Exact Mass366.13
IUPAC Name2-(6-nitro-4-oxoquinazolin-3-yl)-N-(3-propan-2-ylphenyl)acetamide
SMILESCC(C)c1cccc(NC(=O)Cn2cnc3ccc([N+](=O)[O-])cc3c2=O)c1
InChIInChI=1S/C19H18N4O4/c1-12(2)13-4-3-5-14(8-13)21-18(24)10-22-11-20-17-7-6-15(23(26)27)9-16(17)19(22)25/h3-9,11-12H,10H2,1-2H3,(H,21,24)
InChIKeyTYRVZICSJGOZOZ-UHFFFAOYSA-N
XLogP3.07
TPSA107.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 53.07
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-(3,4-dichlorophenyl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide
CID 84601847
N-(2-methyl-1-phenylpropyl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide
CID 51286317
2-(6-chloro-4-oxoquinazolin-3-yl)-N-(3-nitrophenyl)acetamide
CID 9355985
N-[(2S)-butan-2-yl]-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide
CID 7284295
2-(6-nitro-4-oxoquinazolin-3-yl)-N-[(1R)-1-phenylbutyl]acetamide
CID 7534754
6-nitro-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]quinazolin-4-one
CID 7265612
N-(5-methyl-1,2-oxazol-3-yl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide
CID 7227243
N-(1,3-benzodioxol-5-yl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide
CID 7227348
N-(3-morpholin-4-ylsulfonylphenyl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide
CID 55307287
ethyl 4-[[2-(6-nitro-4-oxoquinazolin-3-yl)acetyl]amino]benzoate
CID 4850916
N-(2-fluorophenyl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide
CID 4826132
N-(3-cyanophenyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide
CID 84602361

Frequently Asked Questions

What is the IUPAC name of 2-(6-nitro-4-oxoquinazolin-3-yl)-N-(3-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-(6-nitro-4-oxoquinazolin-3-yl)-N-(3-propan-2-ylphenyl)acetamide (CID 51286316) is 2-(6-nitro-4-oxoquinazolin-3-yl)-N-(3-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-(6-nitro-4-oxoquinazolin-3-yl)-N-(3-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-(6-nitro-4-oxoquinazolin-3-yl)-N-(3-propan-2-ylphenyl)acetamide is CC(C)c1cccc(NC(=O)Cn2cnc3ccc([N+](=O)[O-])cc3c2=O)c1.
What is the InChIKey of 2-(6-nitro-4-oxoquinazolin-3-yl)-N-(3-propan-2-ylphenyl)acetamide?
The InChIKey is TYRVZICSJGOZOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O4/c1-12(2)13-4-3-5-14(8-13)21-18(24)10-22-11-20-17-7-6-15(23(26)27)9-16(17)19(22)25/h3-9,11-12H,10H2,1-2H3,(H,21,24).
What are the key properties of 2-(6-nitro-4-oxoquinazolin-3-yl)-N-(3-propan-2-ylphenyl)acetamide?
2-(6-nitro-4-oxoquinazolin-3-yl)-N-(3-propan-2-ylphenyl)acetamide has a molecular weight of 366.38 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-nitro-4-oxoquinazolin-3-yl)-N-(3-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 51286316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).