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

C16H11FN4O4 — CID 4826132

IUPACN-(2-fluorophenyl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide
SMILESO=C(Cn1cnc2ccc([N+](=O)[O-])cc2c1=O)Nc1ccccc1F
InChIInChI=1S/C16H11FN4O4/c17-12-3-1-2-4-14(12)19-15(22)8-20-9-18-13-6-5-10(21(24)25)7-11(13)16(20)23/h1-7,9H,8H2,(H,19,22)
InChIKeyALWOLTRCEGTTEN-UHFFFAOYSA-N
MW342.29 g/mol
LogP2.08
Rot. Bonds4

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

N-(2-fluorophenyl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide (PubChem CID 4826132) has the molecular formula C16H11FN4O4 and a molecular weight of 342.29 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide
PubChem CID4826132
Molecular FormulaC16H11FN4O4
Molecular Weight342.29 g/mol
Exact Mass342.08
IUPAC NameN-(2-fluorophenyl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide
SMILESO=C(Cn1cnc2ccc([N+](=O)[O-])cc2c1=O)Nc1ccccc1F
InChIInChI=1S/C16H11FN4O4/c17-12-3-1-2-4-14(12)19-15(22)8-20-9-18-13-6-5-10(21(24)25)7-11(13)16(20)23/h1-7,9H,8H2,(H,19,22)
InChIKeyALWOLTRCEGTTEN-UHFFFAOYSA-N
XLogP2.08
TPSA107.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.29
LogP ≤ 52.08
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-fluoro-4-oxoquinazolin-3-yl)-N-(2-methoxy-5-nitrophenyl)acetamide
CID 55582449
N-(5-chloro-2-methoxyphenyl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide
CID 7227403
N-(5-methyl-1,2-oxazol-3-yl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide
CID 7227243
N-(3,4-dichlorophenyl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide
CID 84601847
2-(6-nitro-4-oxoquinazolin-3-yl)acetic acid
CID 2476040
N-(2-tert-butylphenyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide
CID 2485179
2-(6-chloro-4-oxoquinazolin-3-yl)-N-(4-nitrophenyl)acetamide
CID 8536853
2-(6-chloro-4-oxoquinazolin-3-yl)-N-(3-nitrophenyl)acetamide
CID 9355985
2-(6-nitro-4-oxoquinazolin-3-yl)-N-(3-propan-2-ylphenyl)acetamide
CID 51286316
N-cyclopentyl-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide
CID 7227373
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

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-(2-fluorophenyl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide (CID 4826132) is N-(2-fluorophenyl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-(2-fluorophenyl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide is O=C(Cn1cnc2ccc([N+](=O)[O-])cc2c1=O)Nc1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide?
The InChIKey is ALWOLTRCEGTTEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN4O4/c17-12-3-1-2-4-14(12)19-15(22)8-20-9-18-13-6-5-10(21(24)25)7-11(13)16(20)23/h1-7,9H,8H2,(H,19,22).
What are the key properties of N-(2-fluorophenyl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide?
N-(2-fluorophenyl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide has a molecular weight of 342.29 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 4826132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).