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

C25H22N4O4 — CID 2540751

IUPACN-(3,3-diphenylpropyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide
SMILESO=C(Cn1cnc2cc([N+](=O)[O-])ccc2c1=O)NCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H22N4O4/c30-24(16-28-17-27-23-15-20(29(32)33)11-12-22(23)25(28)31)26-14-13-21(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-12,15,17,21H,13-14,16H2,(H,26,30)
InChIKeyUNNQTYYLURFSOL-UHFFFAOYSA-N
MW442.48 g/mol
LogP3.64
Rot. Bonds8

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

N-(3,3-diphenylpropyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide (PubChem CID 2540751) has the molecular formula C25H22N4O4 and a molecular weight of 442.48 g/mol. Its IUPAC name is N-(3,3-diphenylpropyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-(3,3-diphenylpropyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide
PubChem CID2540751
Molecular FormulaC25H22N4O4
Molecular Weight442.48 g/mol
Exact Mass442.16
IUPAC NameN-(3,3-diphenylpropyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide
SMILESO=C(Cn1cnc2cc([N+](=O)[O-])ccc2c1=O)NCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H22N4O4/c30-24(16-28-17-27-23-15-20(29(32)33)11-12-22(23)25(28)31)26-14-13-21(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-12,15,17,21H,13-14,16H2,(H,26,30)
InChIKeyUNNQTYYLURFSOL-UHFFFAOYSA-N
XLogP3.64
TPSA107.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.48
LogP ≤ 53.64
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-methyl-1-phenylbutyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide
CID 55373741
N-butyl-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide
CID 3933084
N-[(4-chlorophenyl)methyl]-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide
CID 2084381
N-(2-tert-butylphenyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide
CID 2485179
N-cyclopropyl-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide
CID 5131642
N-(2,6-dimethylphenyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide
CID 84602357
N-[(3-methoxyphenyl)methyl]-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide
CID 84602329
2-(6-nitro-4-oxoquinazolin-3-yl)-N-[(1R)-1-phenylbutyl]acetamide
CID 7534754
2-(4-oxoquinazolin-3-yl)-N-(3-phenylbutyl)acetamide
CID 51103841
N-(2-methyl-1-phenylpropyl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide
CID 51286317
N-butyl-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide
CID 9464587
N-(cyclopentylcarbamoyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide
CID 4636840

Frequently Asked Questions

What is the IUPAC name of N-(3,3-diphenylpropyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-(3,3-diphenylpropyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide (CID 2540751) is N-(3,3-diphenylpropyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-(3,3-diphenylpropyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-(3,3-diphenylpropyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide is O=C(Cn1cnc2cc([N+](=O)[O-])ccc2c1=O)NCCC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(3,3-diphenylpropyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide?
The InChIKey is UNNQTYYLURFSOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O4/c30-24(16-28-17-27-23-15-20(29(32)33)11-12-22(23)25(28)31)26-14-13-21(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-12,15,17,21H,13-14,16H2,(H,26,30).
What are the key properties of N-(3,3-diphenylpropyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide?
N-(3,3-diphenylpropyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide has a molecular weight of 442.48 g/mol, XLogP of 3.64, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-diphenylpropyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 2540751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).