N-(2-methyl-1-phenylpropyl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide

C20H20N4O4 — CID 51286317

IUPACN-(2-methyl-1-phenylpropyl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide
SMILESCC(C)C(NC(=O)Cn1cnc2ccc([N+](=O)[O-])cc2c1=O)c1ccccc1
InChIInChI=1S/C20H20N4O4/c1-13(2)19(14-6-4-3-5-7-14)22-18(25)11-23-12-21-17-9-8-15(24(27)28)10-16(17)20(23)26/h3-10,12-13,19H,11H2,1-2H3,(H,22,25)
InChIKeyKWBBBOZCNIQSOP-UHFFFAOYSA-N
MW380.40 g/mol
LogP2.82
Rot. Bonds6

About N-(2-methyl-1-phenylpropyl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide

N-(2-methyl-1-phenylpropyl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide (PubChem CID 51286317) has the molecular formula C20H20N4O4 and a molecular weight of 380.40 g/mol. Its IUPAC name is N-(2-methyl-1-phenylpropyl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-(2-methyl-1-phenylpropyl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide
PubChem CID51286317
Molecular FormulaC20H20N4O4
Molecular Weight380.40 g/mol
Exact Mass380.15
IUPAC NameN-(2-methyl-1-phenylpropyl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide
SMILESCC(C)C(NC(=O)Cn1cnc2ccc([N+](=O)[O-])cc2c1=O)c1ccccc1
InChIInChI=1S/C20H20N4O4/c1-13(2)19(14-6-4-3-5-7-14)22-18(25)11-23-12-21-17-9-8-15(24(27)28)10-16(17)20(23)26/h3-10,12-13,19H,11H2,1-2H3,(H,22,25)
InChIKeyKWBBBOZCNIQSOP-UHFFFAOYSA-N
XLogP2.82
TPSA107.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 52.82
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

2-(6-nitro-4-oxoquinazolin-3-yl)-N-[(1R)-1-phenylbutyl]acetamide
CID 7534754
N-[(2S)-butan-2-yl]-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide
CID 7284295
2-(6-nitro-4-oxoquinazolin-3-yl)-N-(3-propan-2-ylphenyl)acetamide
CID 51286316
N-(3-methyl-1-phenylbutyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide
CID 55373741
2-(6-nitro-4-oxoquinazolin-3-yl)acetic acid
CID 2476040
N-(2-fluorophenyl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide
CID 4826132
N-butyl-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide
CID 9464587
6-nitro-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]quinazolin-4-one
CID 7265612
N-[(1S)-1-(4-ethylphenyl)-2-methylpropyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 9287316
N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide
CID 129375928
N-(furan-2-ylmethyl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide
CID 7227332
ethyl N-[2-(6-nitro-4-oxoquinazolin-3-yl)acetyl]carbamate
CID 7227310

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1-phenylpropyl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-(2-methyl-1-phenylpropyl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide (CID 51286317) is N-(2-methyl-1-phenylpropyl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-(2-methyl-1-phenylpropyl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-(2-methyl-1-phenylpropyl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide is CC(C)C(NC(=O)Cn1cnc2ccc([N+](=O)[O-])cc2c1=O)c1ccccc1.
What is the InChIKey of N-(2-methyl-1-phenylpropyl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide?
The InChIKey is KWBBBOZCNIQSOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4/c1-13(2)19(14-6-4-3-5-7-14)22-18(25)11-23-12-21-17-9-8-15(24(27)28)10-16(17)20(23)26/h3-10,12-13,19H,11H2,1-2H3,(H,22,25).
What are the key properties of N-(2-methyl-1-phenylpropyl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide?
N-(2-methyl-1-phenylpropyl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide has a molecular weight of 380.40 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1-phenylpropyl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 51286317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).