5-(3-fluorophenyl)quinolino[4,3-b]quinoxalin-6-one

C21H12FN3O — CID 177439248

IUPAC5-(3-fluorophenyl)quinolino[4,3-b]quinoxalin-6-one
SMILESO=c1c2nc3ccccc3nc2c2ccccc2n1-c1cccc(F)c1
InChIInChI=1S/C21H12FN3O/c22-13-6-5-7-14(12-13)25-18-11-4-1-8-15(18)19-20(21(25)26)24-17-10-3-2-9-16(17)23-19/h1-12H
InChIKeyRXZGWPCPGNLEQH-UHFFFAOYSA-N
MW341.35 g/mol
LogP4.23
Rot. Bonds1

About 5-(3-fluorophenyl)quinolino[4,3-b]quinoxalin-6-one

5-(3-fluorophenyl)quinolino[4,3-b]quinoxalin-6-one (PubChem CID 177439248) has the molecular formula C21H12FN3O and a molecular weight of 341.35 g/mol. Its IUPAC name is 5-(3-fluorophenyl)quinolino[4,3-b]quinoxalin-6-one.

Molecular Properties

Compound Name5-(3-fluorophenyl)quinolino[4,3-b]quinoxalin-6-one
PubChem CID177439248
Molecular FormulaC21H12FN3O
Molecular Weight341.35 g/mol
Exact Mass341.10
IUPAC Name5-(3-fluorophenyl)quinolino[4,3-b]quinoxalin-6-one
SMILESO=c1c2nc3ccccc3nc2c2ccccc2n1-c1cccc(F)c1
InChIInChI=1S/C21H12FN3O/c22-13-6-5-7-14(12-13)25-18-11-4-1-8-15(18)19-20(21(25)26)24-17-10-3-2-9-16(17)23-19/h1-12H
InChIKeyRXZGWPCPGNLEQH-UHFFFAOYSA-N
XLogP4.23
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.35
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

3-(3-fluorophenyl)-1-methylquinazoline-2,4-dione
CID 56697661
17-(3-fluorophenyl)-13-heptyl-14-methyl-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-12-one
CID 2006449
1-bromo-9-(3-fluorophenyl)carbazole
CID 142752208
1-(3-fluorophenyl)-2H-indazol-3-one
CID 122394958
15-(3-fluorophenyl)-4,26-diphenyl-4,15,26-triazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene
CID 176965396
3-chloro-6-(3-phenylphenyl)pyrimido[4,5-c]quinolin-5-one
CID 146597134
2-[3-(3-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-propan-2-ylacetamide
CID 42736247
1,4-di(carbazol-9-yl)-6-(3-carbazol-9-ylphenyl)indolo[3,2-b]quinoxaline
CID 140917920
9-(3-carbazol-9-yl-5-fluorophenyl)carbazole
CID 59399166
6-(3-phenylphenyl)-2-[14-(3-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl]pyrimido[5,4-c]quinolin-5-one
CID 146647234
N-cyclopropyl-2-[3-(3-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 5228195
2-[3-(3-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-hexylacetamide
CID 42736265

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)quinolino[4,3-b]quinoxalin-6-one?
The IUPAC name of 5-(3-fluorophenyl)quinolino[4,3-b]quinoxalin-6-one (CID 177439248) is 5-(3-fluorophenyl)quinolino[4,3-b]quinoxalin-6-one.
What is the SMILES notation for 5-(3-fluorophenyl)quinolino[4,3-b]quinoxalin-6-one?
The canonical SMILES for 5-(3-fluorophenyl)quinolino[4,3-b]quinoxalin-6-one is O=c1c2nc3ccccc3nc2c2ccccc2n1-c1cccc(F)c1.
What is the InChIKey of 5-(3-fluorophenyl)quinolino[4,3-b]quinoxalin-6-one?
The InChIKey is RXZGWPCPGNLEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12FN3O/c22-13-6-5-7-14(12-13)25-18-11-4-1-8-15(18)19-20(21(25)26)24-17-10-3-2-9-16(17)23-19/h1-12H.
What are the key properties of 5-(3-fluorophenyl)quinolino[4,3-b]quinoxalin-6-one?
5-(3-fluorophenyl)quinolino[4,3-b]quinoxalin-6-one has a molecular weight of 341.35 g/mol, XLogP of 4.23, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)quinolino[4,3-b]quinoxalin-6-one is sourced from PubChem (CID 177439248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).