2-phenyl-5-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]quinolin-4-one

C18H12F3N3O — CID 89457425

IUPAC2-phenyl-5-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]quinolin-4-one
SMILESO=c1c2cn(-c3ccccc3)nc2c2ccccc2n1CC(F)(F)F
InChIInChI=1S/C18H12F3N3O/c19-18(20,21)11-23-15-9-5-4-8-13(15)16-14(17(23)25)10-24(22-16)12-6-2-1-3-7-12/h1-10H,11H2
InChIKeyAKEGHTZXALVXIG-UHFFFAOYSA-N
MW343.31 g/mol
LogP3.90
Rot. Bonds2

About 2-phenyl-5-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]quinolin-4-one

2-phenyl-5-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]quinolin-4-one (PubChem CID 89457425) has the molecular formula C18H12F3N3O and a molecular weight of 343.31 g/mol. Its IUPAC name is 2-phenyl-5-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]quinolin-4-one.

Molecular Properties

Compound Name2-phenyl-5-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]quinolin-4-one
PubChem CID89457425
Molecular FormulaC18H12F3N3O
Molecular Weight343.31 g/mol
Exact Mass343.09
IUPAC Name2-phenyl-5-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]quinolin-4-one
SMILESO=c1c2cn(-c3ccccc3)nc2c2ccccc2n1CC(F)(F)F
InChIInChI=1S/C18H12F3N3O/c19-18(20,21)11-23-15-9-5-4-8-13(15)16-14(17(23)25)10-24(22-16)12-6-2-1-3-7-12/h1-10H,11H2
InChIKeyAKEGHTZXALVXIG-UHFFFAOYSA-N
XLogP3.90
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.31
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]quinolin-4-one?
The IUPAC name of 2-phenyl-5-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]quinolin-4-one (CID 89457425) is 2-phenyl-5-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]quinolin-4-one.
What is the SMILES notation for 2-phenyl-5-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]quinolin-4-one?
The canonical SMILES for 2-phenyl-5-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]quinolin-4-one is O=c1c2cn(-c3ccccc3)nc2c2ccccc2n1CC(F)(F)F.
What is the InChIKey of 2-phenyl-5-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]quinolin-4-one?
The InChIKey is AKEGHTZXALVXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3N3O/c19-18(20,21)11-23-15-9-5-4-8-13(15)16-14(17(23)25)10-24(22-16)12-6-2-1-3-7-12/h1-10H,11H2.
What are the key properties of 2-phenyl-5-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]quinolin-4-one?
2-phenyl-5-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]quinolin-4-one has a molecular weight of 343.31 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]quinolin-4-one is sourced from PubChem (CID 89457425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).