[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]-(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)methanone

C24H25ClF3N3O — CID 118093383

IUPAC[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]-(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)methanone
SMILESO=C(C1CCCN1Cc1cc(Cl)ccc1C(F)(F)F)N1CCN(C2CC2)c2ccccc21
InChIInChI=1S/C24H25ClF3N3O/c25-17-7-10-19(24(26,27)28)16(14-17)15-29-11-3-6-22(29)23(32)31-13-12-30(18-8-9-18)20-4-1-2-5-21(20)31/h1-2,4-5,7,10,14,18,22H,3,6,8-9,11-13,15H2
InChIKeyUEPDRHHDICQNBJ-UHFFFAOYSA-N
MW463.93 g/mol
LogP5.34
Rot. Bonds4

About [1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]-(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)methanone

[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]-(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)methanone (PubChem CID 118093383) has the molecular formula C24H25ClF3N3O and a molecular weight of 463.93 g/mol. Its IUPAC name is [1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]-(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)methanone.

Molecular Properties

Compound Name[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]-(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)methanone
PubChem CID118093383
Molecular FormulaC24H25ClF3N3O
Molecular Weight463.93 g/mol
Exact Mass463.16
IUPAC Name[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]-(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)methanone
SMILESO=C(C1CCCN1Cc1cc(Cl)ccc1C(F)(F)F)N1CCN(C2CC2)c2ccccc21
InChIInChI=1S/C24H25ClF3N3O/c25-17-7-10-19(24(26,27)28)16(14-17)15-29-11-3-6-22(29)23(32)31-13-12-30(18-8-9-18)20-4-1-2-5-21(20)31/h1-2,4-5,7,10,14,18,22H,3,6,8-9,11-13,15H2
InChIKeyUEPDRHHDICQNBJ-UHFFFAOYSA-N
XLogP5.34
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.93
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[(2S,4R)-1-[(2,5-dichlorophenyl)methyl]-4-fluoropyrrolidin-2-yl]methanone
CID 71660979
(4-cyclopropyl-3,4-dihydroquinoxalin-1(2H)-yl)((2S,4S)-1-(2,5-dichlorobenzyl)-4-fluoropyrrolidin-2-yl)methanone
CID 71661185
(S)-(4-cyclopropyl-3,4-dihydroquinoxalin-1(2H)-yl)(1-(2,5-dichlorobenzyl) pyrrolidin-2-yl)methanone
CID 71661220
(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[(2S)-1-[(2,5-dichlorophenyl)methyl]-4,4-difluoropyrrolidin-2-yl]methanone
CID 118093410
(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[(2S)-1-[(2,5-dichlorophenyl)methyl]-2-methylpyrrolidin-2-yl]methanone
CID 118093441
[(4R)-3-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-yl]-(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)methanone
CID 145971348
(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[(2R)-1-[(2,5-dichlorophenyl)methyl]pyrrolidin-2-yl]methanone
CID 71661223
[(2S)-1-[(2,5-dichlorophenyl)methyl]pyrrolidin-2-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 118093511
4-[(4-Chlorophenyl)methyl]-1-propan-2-yl-6-(trifluoromethyl)quinoxaline-2,3-dione
CID 4690361
1-(4-Chloro-1,3-dihydroisoindol-2-yl)-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]hexan-1-one
CID 59799386
4-[2-(4-chlorophenyl)ethyl]-1-[3-(trifluoromethyl)phenyl]-3H-quinoxalin-2-one
CID 69545189
4-[2-(3-chlorophenyl)ethyl]-1-[3-(trifluoromethyl)phenyl]-3H-quinoxalin-2-one
CID 69545216

Frequently Asked Questions

What is the IUPAC name of [1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]-(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)methanone?
The IUPAC name of [1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]-(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)methanone (CID 118093383) is [1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]-(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)methanone.
What is the SMILES notation for [1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]-(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)methanone?
The canonical SMILES for [1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]-(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)methanone is O=C(C1CCCN1Cc1cc(Cl)ccc1C(F)(F)F)N1CCN(C2CC2)c2ccccc21.
What is the InChIKey of [1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]-(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)methanone?
The InChIKey is UEPDRHHDICQNBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClF3N3O/c25-17-7-10-19(24(26,27)28)16(14-17)15-29-11-3-6-22(29)23(32)31-13-12-30(18-8-9-18)20-4-1-2-5-21(20)31/h1-2,4-5,7,10,14,18,22H,3,6,8-9,11-13,15H2.
What are the key properties of [1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]-(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)methanone?
[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]-(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)methanone has a molecular weight of 463.93 g/mol, XLogP of 5.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]-(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)methanone is sourced from PubChem (CID 118093383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).