4-(2-fluorophenyl)-2-phenyl-1,4,6,7,8,9-hexahydropyrazolo[3,4-b]quinoline-3,5-dione

C22H18FN3O2 — CID 4662812

IUPAC4-(2-fluorophenyl)-2-phenyl-1,4,6,7,8,9-hexahydropyrazolo[3,4-b]quinoline-3,5-dione
SMILESO=C1CCCC2=C1C(c1ccccc1F)c1c([nH]n(-c3ccccc3)c1=O)N2
InChIInChI=1S/C22H18FN3O2/c23-15-10-5-4-9-14(15)18-19-16(11-6-12-17(19)27)24-21-20(18)22(28)26(25-21)13-7-2-1-3-8-13/h1-5,7-10,18,24-25H,6,11-12H2
InChIKeyPRVGKOBCYXEIJO-UHFFFAOYSA-N
MW375.40 g/mol
LogP3.87
Rot. Bonds2

About 4-(2-fluorophenyl)-2-phenyl-1,4,6,7,8,9-hexahydropyrazolo[3,4-b]quinoline-3,5-dione

4-(2-fluorophenyl)-2-phenyl-1,4,6,7,8,9-hexahydropyrazolo[3,4-b]quinoline-3,5-dione (PubChem CID 4662812) has the molecular formula C22H18FN3O2 and a molecular weight of 375.40 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-2-phenyl-1,4,6,7,8,9-hexahydropyrazolo[3,4-b]quinoline-3,5-dione.

Molecular Properties

Compound Name4-(2-fluorophenyl)-2-phenyl-1,4,6,7,8,9-hexahydropyrazolo[3,4-b]quinoline-3,5-dione
PubChem CID4662812
Molecular FormulaC22H18FN3O2
Molecular Weight375.40 g/mol
Exact Mass375.14
IUPAC Name4-(2-fluorophenyl)-2-phenyl-1,4,6,7,8,9-hexahydropyrazolo[3,4-b]quinoline-3,5-dione
SMILESO=C1CCCC2=C1C(c1ccccc1F)c1c([nH]n(-c3ccccc3)c1=O)N2
InChIInChI=1S/C22H18FN3O2/c23-15-10-5-4-9-14(15)18-19-16(11-6-12-17(19)27)24-21-20(18)22(28)26(25-21)13-7-2-1-3-8-13/h1-5,7-10,18,24-25H,6,11-12H2
InChIKeyPRVGKOBCYXEIJO-UHFFFAOYSA-N
XLogP3.87
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.40
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(2-fluorophenyl)-2-phenyl-1,4,6,7,8,9-hexahydropyrazolo[3,4-b]quinoline-3,5-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-2-phenyl-1,4,6,7,8,9-hexahydropyrazolo[3,4-b]quinoline-3,5-dione?
The IUPAC name of 4-(2-fluorophenyl)-2-phenyl-1,4,6,7,8,9-hexahydropyrazolo[3,4-b]quinoline-3,5-dione (CID 4662812) is 4-(2-fluorophenyl)-2-phenyl-1,4,6,7,8,9-hexahydropyrazolo[3,4-b]quinoline-3,5-dione.
What is the SMILES notation for 4-(2-fluorophenyl)-2-phenyl-1,4,6,7,8,9-hexahydropyrazolo[3,4-b]quinoline-3,5-dione?
The canonical SMILES for 4-(2-fluorophenyl)-2-phenyl-1,4,6,7,8,9-hexahydropyrazolo[3,4-b]quinoline-3,5-dione is O=C1CCCC2=C1C(c1ccccc1F)c1c([nH]n(-c3ccccc3)c1=O)N2.
What is the InChIKey of 4-(2-fluorophenyl)-2-phenyl-1,4,6,7,8,9-hexahydropyrazolo[3,4-b]quinoline-3,5-dione?
The InChIKey is PRVGKOBCYXEIJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O2/c23-15-10-5-4-9-14(15)18-19-16(11-6-12-17(19)27)24-21-20(18)22(28)26(25-21)13-7-2-1-3-8-13/h1-5,7-10,18,24-25H,6,11-12H2.
What are the key properties of 4-(2-fluorophenyl)-2-phenyl-1,4,6,7,8,9-hexahydropyrazolo[3,4-b]quinoline-3,5-dione?
4-(2-fluorophenyl)-2-phenyl-1,4,6,7,8,9-hexahydropyrazolo[3,4-b]quinoline-3,5-dione has a molecular weight of 375.40 g/mol, XLogP of 3.87, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-2-phenyl-1,4,6,7,8,9-hexahydropyrazolo[3,4-b]quinoline-3,5-dione is sourced from PubChem (CID 4662812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).