7-(2-fluorophenyl)-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c]quinolin-4-one

C18H11F4N3O — CID 71535320

IUPAC7-(2-fluorophenyl)-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c]quinolin-4-one
SMILESO=c1c2cn[nH]c2c2ccc(-c3ccccc3F)cc2n1CC(F)(F)F
InChIInChI=1S/C18H11F4N3O/c19-14-4-2-1-3-11(14)10-5-6-12-15(7-10)25(9-18(20,21)22)17(26)13-8-23-24-16(12)13/h1-8H,9H2,(H,23,24)
InChIKeyVPEJVFMGPDLHJD-UHFFFAOYSA-N
MW361.30 g/mol
LogP4.25
Rot. Bonds2

About 7-(2-fluorophenyl)-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c]quinolin-4-one

7-(2-fluorophenyl)-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c]quinolin-4-one (PubChem CID 71535320) has the molecular formula C18H11F4N3O and a molecular weight of 361.30 g/mol. Its IUPAC name is 7-(2-fluorophenyl)-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c]quinolin-4-one.

Molecular Properties

Compound Name7-(2-fluorophenyl)-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c]quinolin-4-one
PubChem CID71535320
Molecular FormulaC18H11F4N3O
Molecular Weight361.30 g/mol
Exact Mass361.08
IUPAC Name7-(2-fluorophenyl)-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c]quinolin-4-one
SMILESO=c1c2cn[nH]c2c2ccc(-c3ccccc3F)cc2n1CC(F)(F)F
InChIInChI=1S/C18H11F4N3O/c19-14-4-2-1-3-11(14)10-5-6-12-15(7-10)25(9-18(20,21)22)17(26)13-8-23-24-16(12)13/h1-8H,9H2,(H,23,24)
InChIKeyVPEJVFMGPDLHJD-UHFFFAOYSA-N
XLogP4.25
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.30
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-Ethyl-3-methyl-1,5-dihydro-4H-pyrazolo[4,3-C]quinolin-4-one
CID 708346
(3R,4R)-N-(3-cyano-4-fluorophenyl)-1-oxo-3-(1H-pyrazol-4-yl)-2-(2,2,2-trifluoroethyl)-3,4-dihydroisoquinoline-4-carboxamide
CID 71276323
(3S,4S)-N-(3-Cyano-4-fluorophenyl)-1-oxo-3-(1H-pyrazole-4-yl)-2-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 122488860
2-[4-(1H-pyrazol-3-yl)phenyl]-1,2,3,4-tetrahydroisoquinolin-1-one
CID 121231397
5-(3-amino-2,2-difluoropropyl)-7,8-dicyclohexyl-3-methyl-2H-pyrazolo[4,3-c]quinolin-4(5H)-one
CID 44443800
1-ethyl-2,2-dimethyl-7-(5-methyl-1H-pyrazol-4-yl)-3H-quinazolin-4-one
CID 127048047
2-(4-Fluoro-phenyl)-2,5-dihydro-pyrazolo[4,3-c]quinolin-4-one
CID 135409960
2-Phenyl-2,5-dihydro-pyrazolo[4,3-c]quinolin-4-one
CID 135454766
N-[4-fluoro-3-(1H-indazol-6-yl)phenyl]-3-(trifluoromethyl)benzamide
CID 155537364
3-[(E)-2-phenylethenyl]-2,5-dihydropyrazolo[4,3-c]quinolin-4-one
CID 156009962
3,5-dimethyl-2H-pyrazolo[4,3-c]quinolin-4-one
CID 2785814
1-[3-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]phenyl]-6,7-dihydro-5H-pyrazolo[4,5-c]pyridin-4-one
CID 156735648

Frequently Asked Questions

What is the IUPAC name of 7-(2-fluorophenyl)-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c]quinolin-4-one?
The IUPAC name of 7-(2-fluorophenyl)-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c]quinolin-4-one (CID 71535320) is 7-(2-fluorophenyl)-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c]quinolin-4-one.
What is the SMILES notation for 7-(2-fluorophenyl)-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c]quinolin-4-one?
The canonical SMILES for 7-(2-fluorophenyl)-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c]quinolin-4-one is O=c1c2cn[nH]c2c2ccc(-c3ccccc3F)cc2n1CC(F)(F)F.
What is the InChIKey of 7-(2-fluorophenyl)-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c]quinolin-4-one?
The InChIKey is VPEJVFMGPDLHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F4N3O/c19-14-4-2-1-3-11(14)10-5-6-12-15(7-10)25(9-18(20,21)22)17(26)13-8-23-24-16(12)13/h1-8H,9H2,(H,23,24).
What are the key properties of 7-(2-fluorophenyl)-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c]quinolin-4-one?
7-(2-fluorophenyl)-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c]quinolin-4-one has a molecular weight of 361.30 g/mol, XLogP of 4.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-fluorophenyl)-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c]quinolin-4-one is sourced from PubChem (CID 71535320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).