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

C22H16N4O4 — CID 2084391

IUPAC2-(7-nitro-4-oxoquinazolin-3-yl)-N-(2-phenylphenyl)acetamide
SMILESO=C(Cn1cnc2cc([N+](=O)[O-])ccc2c1=O)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C22H16N4O4/c27-21(24-19-9-5-4-8-17(19)15-6-2-1-3-7-15)13-25-14-23-20-12-16(26(29)30)10-11-18(20)22(25)28/h1-12,14H,13H2,(H,24,27)
InChIKeyOCMVZWAXQFMQTH-UHFFFAOYSA-N
MW400.39 g/mol
LogP3.61
Rot. Bonds5

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

2-(7-nitro-4-oxoquinazolin-3-yl)-N-(2-phenylphenyl)acetamide (PubChem CID 2084391) has the molecular formula C22H16N4O4 and a molecular weight of 400.39 g/mol. Its IUPAC name is 2-(7-nitro-4-oxoquinazolin-3-yl)-N-(2-phenylphenyl)acetamide.

Molecular Properties

Compound Name2-(7-nitro-4-oxoquinazolin-3-yl)-N-(2-phenylphenyl)acetamide
PubChem CID2084391
Molecular FormulaC22H16N4O4
Molecular Weight400.39 g/mol
Exact Mass400.12
IUPAC Name2-(7-nitro-4-oxoquinazolin-3-yl)-N-(2-phenylphenyl)acetamide
SMILESO=C(Cn1cnc2cc([N+](=O)[O-])ccc2c1=O)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C22H16N4O4/c27-21(24-19-9-5-4-8-17(19)15-6-2-1-3-7-15)13-25-14-23-20-12-16(26(29)30)10-11-18(20)22(25)28/h1-12,14H,13H2,(H,24,27)
InChIKeyOCMVZWAXQFMQTH-UHFFFAOYSA-N
XLogP3.61
TPSA107.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.39
LogP ≤ 53.61
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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Frequently Asked Questions

What is the IUPAC name of 2-(7-nitro-4-oxoquinazolin-3-yl)-N-(2-phenylphenyl)acetamide?
The IUPAC name of 2-(7-nitro-4-oxoquinazolin-3-yl)-N-(2-phenylphenyl)acetamide (CID 2084391) is 2-(7-nitro-4-oxoquinazolin-3-yl)-N-(2-phenylphenyl)acetamide.
What is the SMILES notation for 2-(7-nitro-4-oxoquinazolin-3-yl)-N-(2-phenylphenyl)acetamide?
The canonical SMILES for 2-(7-nitro-4-oxoquinazolin-3-yl)-N-(2-phenylphenyl)acetamide is O=C(Cn1cnc2cc([N+](=O)[O-])ccc2c1=O)Nc1ccccc1-c1ccccc1.
What is the InChIKey of 2-(7-nitro-4-oxoquinazolin-3-yl)-N-(2-phenylphenyl)acetamide?
The InChIKey is OCMVZWAXQFMQTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N4O4/c27-21(24-19-9-5-4-8-17(19)15-6-2-1-3-7-15)13-25-14-23-20-12-16(26(29)30)10-11-18(20)22(25)28/h1-12,14H,13H2,(H,24,27).
What are the key properties of 2-(7-nitro-4-oxoquinazolin-3-yl)-N-(2-phenylphenyl)acetamide?
2-(7-nitro-4-oxoquinazolin-3-yl)-N-(2-phenylphenyl)acetamide has a molecular weight of 400.39 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-nitro-4-oxoquinazolin-3-yl)-N-(2-phenylphenyl)acetamide is sourced from PubChem (CID 2084391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).