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

C22H14FN3O3 — CID 92522255

IUPAC2-[(E)-2-(4-fluorophenyl)ethenyl]-3-(3-nitrophenyl)quinazolin-4-one
SMILESO=c1c2ccccc2nc(/C=C/c2ccc(F)cc2)n1-c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C22H14FN3O3/c23-16-11-8-15(9-12-16)10-13-21-24-20-7-2-1-6-19(20)22(27)25(21)17-4-3-5-18(14-17)26(28)29/h1-14H/b13-10+
InChIKeyZNIQPDTVEMCCSI-JLHYYAGUSA-N
MW387.37 g/mol
LogP4.60
Rot. Bonds4

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

2-[(E)-2-(4-fluorophenyl)ethenyl]-3-(3-nitrophenyl)quinazolin-4-one (PubChem CID 92522255) has the molecular formula C22H14FN3O3 and a molecular weight of 387.37 g/mol. Its IUPAC name is 2-[(E)-2-(4-fluorophenyl)ethenyl]-3-(3-nitrophenyl)quinazolin-4-one.

Molecular Properties

Compound Name2-[(E)-2-(4-fluorophenyl)ethenyl]-3-(3-nitrophenyl)quinazolin-4-one
PubChem CID92522255
Molecular FormulaC22H14FN3O3
Molecular Weight387.37 g/mol
Exact Mass387.10
IUPAC Name2-[(E)-2-(4-fluorophenyl)ethenyl]-3-(3-nitrophenyl)quinazolin-4-one
SMILESO=c1c2ccccc2nc(/C=C/c2ccc(F)cc2)n1-c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C22H14FN3O3/c23-16-11-8-15(9-12-16)10-13-21-24-20-7-2-1-6-19(20)22(27)25(21)17-4-3-5-18(14-17)26(28)29/h1-14H/b13-10+
InChIKeyZNIQPDTVEMCCSI-JLHYYAGUSA-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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Related Compounds

3-(3-aminophenyl)-2-[(E)-2-(4-fluorophenyl)ethenyl]quinazolin-4-one
CID 78322132
2-[2-(5-nitrofuran-2-yl)ethenyl]-3-(3-nitrophenyl)quinazolin-4-one
CID 3453827
2-[(E)-2-(5-bromo-2-hydroxyphenyl)ethenyl]-3-(3-nitrophenyl)quinazolin-4-one
CID 135451284
2-[(E)-2-(3-nitrophenyl)ethenyl]-3-pyridin-3-ylquinazolin-4-one
CID 6165799
2-[(Z)-2-(4-fluorophenyl)ethenyl]-3-(4-hydroxyphenyl)quinazolin-4-one
CID 92955316
3-(2-fluorophenyl)-2-[2-(4-nitrophenyl)ethenyl]quinazolin-4-one
CID 15994969
2-[2-(4-bromophenyl)ethenyl]-3-(4-nitrophenyl)quinazolin-4-one
CID 2829077
2-[2-(3,4-dihydroxyphenyl)ethenyl]-3-(4-nitrophenyl)quinazolin-4-one
CID 3628212
[3-[2-[(Z)-2-(4-bromophenyl)ethenyl]-4-oxoquinazolin-3-yl]phenyl]-methoxy-oxoazanium
CID 53239597
6-iodo-2-[2-(3-nitrophenyl)ethenyl]-3-phenylquinazolin-4-one
CID 2888494
3-(4-ethoxyphenyl)-2-[(E)-2-(3-nitrophenyl)ethenyl]quinazolin-4-one
CID 7311918
3-[3-[2-[3-(3-nitrophenyl)-4-oxoquinazolin-2-yl]ethenyl]indol-1-yl]propanenitrile
CID 3927697

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(4-fluorophenyl)ethenyl]-3-(3-nitrophenyl)quinazolin-4-one?
The IUPAC name of 2-[(E)-2-(4-fluorophenyl)ethenyl]-3-(3-nitrophenyl)quinazolin-4-one (CID 92522255) is 2-[(E)-2-(4-fluorophenyl)ethenyl]-3-(3-nitrophenyl)quinazolin-4-one.
What is the SMILES notation for 2-[(E)-2-(4-fluorophenyl)ethenyl]-3-(3-nitrophenyl)quinazolin-4-one?
The canonical SMILES for 2-[(E)-2-(4-fluorophenyl)ethenyl]-3-(3-nitrophenyl)quinazolin-4-one is O=c1c2ccccc2nc(/C=C/c2ccc(F)cc2)n1-c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 2-[(E)-2-(4-fluorophenyl)ethenyl]-3-(3-nitrophenyl)quinazolin-4-one?
The InChIKey is ZNIQPDTVEMCCSI-JLHYYAGUSA-N. The full InChI is InChI=1S/C22H14FN3O3/c23-16-11-8-15(9-12-16)10-13-21-24-20-7-2-1-6-19(20)22(27)25(21)17-4-3-5-18(14-17)26(28)29/h1-14H/b13-10+.
What are the key properties of 2-[(E)-2-(4-fluorophenyl)ethenyl]-3-(3-nitrophenyl)quinazolin-4-one?
2-[(E)-2-(4-fluorophenyl)ethenyl]-3-(3-nitrophenyl)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 2-[(E)-2-(4-fluorophenyl)ethenyl]-3-(3-nitrophenyl)quinazolin-4-one is sourced from PubChem (CID 92522255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).