3-(4-fluorophenyl)-5-[(3-fluorophenyl)methyl]-7,8-dimethoxypyrazolo[4,3-c]quinoline

C25H19F2N3O2 — CID 2136899

IUPAC3-(4-fluorophenyl)-5-[(3-fluorophenyl)methyl]-7,8-dimethoxypyrazolo[4,3-c]quinoline
SMILESCOc1cc2c3nnc(-c4ccc(F)cc4)c-3cn(Cc3cccc(F)c3)c2cc1OC
InChIInChI=1S/C25H19F2N3O2/c1-31-22-11-19-21(12-23(22)32-2)30(13-15-4-3-5-18(27)10-15)14-20-24(28-29-25(19)20)16-6-8-17(26)9-7-16/h3-12,14H,13H2,1-2H3
InChIKeyJJNMZCKNDACLSN-UHFFFAOYSA-N
MW431.44 g/mol
LogP5.55
Rot. Bonds5

About 3-(4-fluorophenyl)-5-[(3-fluorophenyl)methyl]-7,8-dimethoxypyrazolo[4,3-c]quinoline

3-(4-fluorophenyl)-5-[(3-fluorophenyl)methyl]-7,8-dimethoxypyrazolo[4,3-c]quinoline (PubChem CID 2136899) has the molecular formula C25H19F2N3O2 and a molecular weight of 431.44 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-[(3-fluorophenyl)methyl]-7,8-dimethoxypyrazolo[4,3-c]quinoline.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5-[(3-fluorophenyl)methyl]-7,8-dimethoxypyrazolo[4,3-c]quinoline
PubChem CID2136899
Molecular FormulaC25H19F2N3O2
Molecular Weight431.44 g/mol
Exact Mass431.14
IUPAC Name3-(4-fluorophenyl)-5-[(3-fluorophenyl)methyl]-7,8-dimethoxypyrazolo[4,3-c]quinoline
SMILESCOc1cc2c3nnc(-c4ccc(F)cc4)c-3cn(Cc3cccc(F)c3)c2cc1OC
InChIInChI=1S/C25H19F2N3O2/c1-31-22-11-19-21(12-23(22)32-2)30(13-15-4-3-5-18(27)10-15)14-20-24(28-29-25(19)20)16-6-8-17(26)9-7-16/h3-12,14H,13H2,1-2H3
InChIKeyJJNMZCKNDACLSN-UHFFFAOYSA-N
XLogP5.55
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.44
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-5-[(3-fluorophenyl)methyl]-7,8-dimethoxypyrazolo[4,3-c]quinoline?
The IUPAC name of 3-(4-fluorophenyl)-5-[(3-fluorophenyl)methyl]-7,8-dimethoxypyrazolo[4,3-c]quinoline (CID 2136899) is 3-(4-fluorophenyl)-5-[(3-fluorophenyl)methyl]-7,8-dimethoxypyrazolo[4,3-c]quinoline.
What is the SMILES notation for 3-(4-fluorophenyl)-5-[(3-fluorophenyl)methyl]-7,8-dimethoxypyrazolo[4,3-c]quinoline?
The canonical SMILES for 3-(4-fluorophenyl)-5-[(3-fluorophenyl)methyl]-7,8-dimethoxypyrazolo[4,3-c]quinoline is COc1cc2c3nnc(-c4ccc(F)cc4)c-3cn(Cc3cccc(F)c3)c2cc1OC.
What is the InChIKey of 3-(4-fluorophenyl)-5-[(3-fluorophenyl)methyl]-7,8-dimethoxypyrazolo[4,3-c]quinoline?
The InChIKey is JJNMZCKNDACLSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F2N3O2/c1-31-22-11-19-21(12-23(22)32-2)30(13-15-4-3-5-18(27)10-15)14-20-24(28-29-25(19)20)16-6-8-17(26)9-7-16/h3-12,14H,13H2,1-2H3.
What are the key properties of 3-(4-fluorophenyl)-5-[(3-fluorophenyl)methyl]-7,8-dimethoxypyrazolo[4,3-c]quinoline?
3-(4-fluorophenyl)-5-[(3-fluorophenyl)methyl]-7,8-dimethoxypyrazolo[4,3-c]quinoline has a molecular weight of 431.44 g/mol, XLogP of 5.55, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-5-[(3-fluorophenyl)methyl]-7,8-dimethoxypyrazolo[4,3-c]quinoline is sourced from PubChem (CID 2136899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).