N-[2-(2-fluorophenyl)-4-oxoquinazolin-3-yl]-2-(4-nitrophenyl)acetamide

C22H15FN4O4 — CID 23761960

IUPACN-[2-(2-fluorophenyl)-4-oxoquinazolin-3-yl]-2-(4-nitrophenyl)acetamide
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)Nn1c(-c2ccccc2F)nc2ccccc2c1=O
InChIInChI=1S/C22H15FN4O4/c23-18-7-3-1-5-16(18)21-24-19-8-4-2-6-17(19)22(29)26(21)25-20(28)13-14-9-11-15(12-10-14)27(30)31/h1-12H,13H2,(H,25,28)
InChIKeyUMYPMJIISFAFSF-UHFFFAOYSA-N
MW418.38 g/mol
LogP3.42
Rot. Bonds5

About N-[2-(2-fluorophenyl)-4-oxoquinazolin-3-yl]-2-(4-nitrophenyl)acetamide

N-[2-(2-fluorophenyl)-4-oxoquinazolin-3-yl]-2-(4-nitrophenyl)acetamide (PubChem CID 23761960) has the molecular formula C22H15FN4O4 and a molecular weight of 418.38 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)-4-oxoquinazolin-3-yl]-2-(4-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)-4-oxoquinazolin-3-yl]-2-(4-nitrophenyl)acetamide
PubChem CID23761960
Molecular FormulaC22H15FN4O4
Molecular Weight418.38 g/mol
Exact Mass418.11
IUPAC NameN-[2-(2-fluorophenyl)-4-oxoquinazolin-3-yl]-2-(4-nitrophenyl)acetamide
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)Nn1c(-c2ccccc2F)nc2ccccc2c1=O
InChIInChI=1S/C22H15FN4O4/c23-18-7-3-1-5-16(18)21-24-19-8-4-2-6-17(19)22(29)26(21)25-20(28)13-14-9-11-15(12-10-14)27(30)31/h1-12H,13H2,(H,25,28)
InChIKeyUMYPMJIISFAFSF-UHFFFAOYSA-N
XLogP3.42
TPSA107.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.38
LogP ≤ 53.42
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 N-[2-(2-fluorophenyl)-4-oxoquinazolin-3-yl]-2-(4-nitrophenyl)acetamide?
The IUPAC name of N-[2-(2-fluorophenyl)-4-oxoquinazolin-3-yl]-2-(4-nitrophenyl)acetamide (CID 23761960) is N-[2-(2-fluorophenyl)-4-oxoquinazolin-3-yl]-2-(4-nitrophenyl)acetamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)-4-oxoquinazolin-3-yl]-2-(4-nitrophenyl)acetamide?
The canonical SMILES for N-[2-(2-fluorophenyl)-4-oxoquinazolin-3-yl]-2-(4-nitrophenyl)acetamide is O=C(Cc1ccc([N+](=O)[O-])cc1)Nn1c(-c2ccccc2F)nc2ccccc2c1=O.
What is the InChIKey of N-[2-(2-fluorophenyl)-4-oxoquinazolin-3-yl]-2-(4-nitrophenyl)acetamide?
The InChIKey is UMYPMJIISFAFSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15FN4O4/c23-18-7-3-1-5-16(18)21-24-19-8-4-2-6-17(19)22(29)26(21)25-20(28)13-14-9-11-15(12-10-14)27(30)31/h1-12H,13H2,(H,25,28).
What are the key properties of N-[2-(2-fluorophenyl)-4-oxoquinazolin-3-yl]-2-(4-nitrophenyl)acetamide?
N-[2-(2-fluorophenyl)-4-oxoquinazolin-3-yl]-2-(4-nitrophenyl)acetamide has a molecular weight of 418.38 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)-4-oxoquinazolin-3-yl]-2-(4-nitrophenyl)acetamide is sourced from PubChem (CID 23761960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).