1-(3,4-dihydro-2H-quinolin-1-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanone

C19H20F3N3O — CID 1129704

IUPAC1-(3,4-dihydro-2H-quinolin-1-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanone
SMILESO=C(Cn1nc(C(F)(F)F)c2c1CCCC2)N1CCCc2ccccc21
InChIInChI=1S/C19H20F3N3O/c20-19(21,22)18-14-8-2-4-10-16(14)25(23-18)12-17(26)24-11-5-7-13-6-1-3-9-15(13)24/h1,3,6,9H,2,4-5,7-8,10-12H2
InChIKeyDLAGRCZUELSZFG-UHFFFAOYSA-N
MW363.38 g/mol
LogP3.76
Rot. Bonds2

About 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanone

1-(3,4-dihydro-2H-quinolin-1-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanone (PubChem CID 1129704) has the molecular formula C19H20F3N3O and a molecular weight of 363.38 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanone.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanone
PubChem CID1129704
Molecular FormulaC19H20F3N3O
Molecular Weight363.38 g/mol
Exact Mass363.16
IUPAC Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanone
SMILESO=C(Cn1nc(C(F)(F)F)c2c1CCCC2)N1CCCc2ccccc21
InChIInChI=1S/C19H20F3N3O/c20-19(21,22)18-14-8-2-4-10-16(14)25(23-18)12-17(26)24-11-5-7-13-6-1-3-9-15(13)24/h1,3,6,9H,2,4-5,7-8,10-12H2
InChIKeyDLAGRCZUELSZFG-UHFFFAOYSA-N
XLogP3.76
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanone?
The IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanone (CID 1129704) is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanone.
What is the SMILES notation for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanone?
The canonical SMILES for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanone is O=C(Cn1nc(C(F)(F)F)c2c1CCCC2)N1CCCc2ccccc21.
What is the InChIKey of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanone?
The InChIKey is DLAGRCZUELSZFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O/c20-19(21,22)18-14-8-2-4-10-16(14)25(23-18)12-17(26)24-11-5-7-13-6-1-3-9-15(13)24/h1,3,6,9H,2,4-5,7-8,10-12H2.
What are the key properties of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanone?
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanone has a molecular weight of 363.38 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanone is sourced from PubChem (CID 1129704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).