3-(2-fluorophenyl)-2-[2-(4-nitrophenyl)ethenyl]quinazolin-4-one

C22H14FN3O3 — CID 15994969

IUPAC3-(2-fluorophenyl)-2-[2-(4-nitrophenyl)ethenyl]quinazolin-4-one
SMILESO=c1c2ccccc2nc(C=Cc2ccc([N+](=O)[O-])cc2)n1-c1ccccc1F
InChIInChI=1S/C22H14FN3O3/c23-18-6-2-4-8-20(18)25-21(24-19-7-3-1-5-17(19)22(25)27)14-11-15-9-12-16(13-10-15)26(28)29/h1-14H
InChIKeyFGXCMWWIDMVSGU-UHFFFAOYSA-N
MW387.37 g/mol
LogP4.60
Rot. Bonds4

About 3-(2-fluorophenyl)-2-[2-(4-nitrophenyl)ethenyl]quinazolin-4-one

3-(2-fluorophenyl)-2-[2-(4-nitrophenyl)ethenyl]quinazolin-4-one (PubChem CID 15994969) has the molecular formula C22H14FN3O3 and a molecular weight of 387.37 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-2-[2-(4-nitrophenyl)ethenyl]quinazolin-4-one.

Molecular Properties

Compound Name3-(2-fluorophenyl)-2-[2-(4-nitrophenyl)ethenyl]quinazolin-4-one
PubChem CID15994969
Molecular FormulaC22H14FN3O3
Molecular Weight387.37 g/mol
Exact Mass387.10
IUPAC Name3-(2-fluorophenyl)-2-[2-(4-nitrophenyl)ethenyl]quinazolin-4-one
SMILESO=c1c2ccccc2nc(C=Cc2ccc([N+](=O)[O-])cc2)n1-c1ccccc1F
InChIInChI=1S/C22H14FN3O3/c23-18-6-2-4-8-20(18)25-21(24-19-7-3-1-5-17(19)22(25)27)14-11-15-9-12-16(13-10-15)26(28)29/h1-14H
InChIKeyFGXCMWWIDMVSGU-UHFFFAOYSA-N
XLogP4.60
TPSA78.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.37
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 3-(2-fluorophenyl)-2-[2-(4-nitrophenyl)ethenyl]quinazolin-4-one?
The IUPAC name of 3-(2-fluorophenyl)-2-[2-(4-nitrophenyl)ethenyl]quinazolin-4-one (CID 15994969) is 3-(2-fluorophenyl)-2-[2-(4-nitrophenyl)ethenyl]quinazolin-4-one.
What is the SMILES notation for 3-(2-fluorophenyl)-2-[2-(4-nitrophenyl)ethenyl]quinazolin-4-one?
The canonical SMILES for 3-(2-fluorophenyl)-2-[2-(4-nitrophenyl)ethenyl]quinazolin-4-one is O=c1c2ccccc2nc(C=Cc2ccc([N+](=O)[O-])cc2)n1-c1ccccc1F.
What is the InChIKey of 3-(2-fluorophenyl)-2-[2-(4-nitrophenyl)ethenyl]quinazolin-4-one?
The InChIKey is FGXCMWWIDMVSGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14FN3O3/c23-18-6-2-4-8-20(18)25-21(24-19-7-3-1-5-17(19)22(25)27)14-11-15-9-12-16(13-10-15)26(28)29/h1-14H.
What are the key properties of 3-(2-fluorophenyl)-2-[2-(4-nitrophenyl)ethenyl]quinazolin-4-one?
3-(2-fluorophenyl)-2-[2-(4-nitrophenyl)ethenyl]quinazolin-4-one has a molecular weight of 387.37 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-2-[2-(4-nitrophenyl)ethenyl]quinazolin-4-one is sourced from PubChem (CID 15994969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).