1-[2-ethyl-4-[7-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]propan-2-ol

C19H24F3N3O — CID 133401394

IUPAC1-[2-ethyl-4-[7-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]propan-2-ol
SMILESCCC1CN(c2ccnc3cc(C(F)(F)F)ccc23)CCN1CC(C)O
InChIInChI=1S/C19H24F3N3O/c1-3-15-12-25(9-8-24(15)11-13(2)26)18-6-7-23-17-10-14(19(20,21)22)4-5-16(17)18/h4-7,10,13,15,26H,3,8-9,11-12H2,1-2H3
InChIKeyOOWXSRMNUASXQI-UHFFFAOYSA-N
MW367.42 g/mol
LogP3.54
Rot. Bonds4

About 1-[2-ethyl-4-[7-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]propan-2-ol

1-[2-ethyl-4-[7-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]propan-2-ol (PubChem CID 133401394) has the molecular formula C19H24F3N3O and a molecular weight of 367.42 g/mol. Its IUPAC name is 1-[2-ethyl-4-[7-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-[2-ethyl-4-[7-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]propan-2-ol
PubChem CID133401394
Molecular FormulaC19H24F3N3O
Molecular Weight367.42 g/mol
Exact Mass367.19
IUPAC Name1-[2-ethyl-4-[7-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]propan-2-ol
SMILESCCC1CN(c2ccnc3cc(C(F)(F)F)ccc23)CCN1CC(C)O
InChIInChI=1S/C19H24F3N3O/c1-3-15-12-25(9-8-24(15)11-13(2)26)18-6-7-23-17-10-14(19(20,21)22)4-5-16(17)18/h4-7,10,13,15,26H,3,8-9,11-12H2,1-2H3
InChIKeyOOWXSRMNUASXQI-UHFFFAOYSA-N
XLogP3.54
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-[7-(trifluoromethyl)quinolin-4-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 133412182
4-[3-(ethoxymethyl)pyrrolidin-1-yl]-7-(trifluoromethyl)quinoline
CID 133402824
4-[3-(2,5-dihydropyrrol-1-yl)pyrrolidin-1-yl]-7-(trifluoromethyl)quinoline
CID 133402449
4-[4-(2-ethoxyethyl)piperazin-1-yl]-7-(trifluoromethyl)quinoline
CID 133401397
2-(methoxymethyl)-4-[7-(trifluoromethyl)quinolin-4-yl]morpholine
CID 133402379
2-[1-[7-(trifluoromethyl)quinolin-4-yl]piperidin-3-yl]oxyethanol
CID 133401937
1-[2-ethyl-4-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]propan-2-ol
CID 86900405
N-[1-[7-(trifluoromethyl)quinolin-4-yl]piperidin-3-yl]methanesulfonamide
CID 163354863
7-(trifluoromethyl)-4-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]quinoline
CID 133401314
4-[4-(2-methoxyethoxy)piperidin-1-yl]-7-(trifluoromethyl)quinoline
CID 133448497
(2S)-1-[(2R)-2-ethyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]propan-2-ol
CID 98774925
4-chloro-N-[[1-[7-(trifluoromethyl)quinolin-4-yl]piperidin-3-yl]methyl]aniline
CID 166336183

Frequently Asked Questions

What is the IUPAC name of 1-[2-ethyl-4-[7-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]propan-2-ol?
The IUPAC name of 1-[2-ethyl-4-[7-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]propan-2-ol (CID 133401394) is 1-[2-ethyl-4-[7-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]propan-2-ol.
What is the SMILES notation for 1-[2-ethyl-4-[7-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]propan-2-ol?
The canonical SMILES for 1-[2-ethyl-4-[7-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]propan-2-ol is CCC1CN(c2ccnc3cc(C(F)(F)F)ccc23)CCN1CC(C)O.
What is the InChIKey of 1-[2-ethyl-4-[7-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]propan-2-ol?
The InChIKey is OOWXSRMNUASXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F3N3O/c1-3-15-12-25(9-8-24(15)11-13(2)26)18-6-7-23-17-10-14(19(20,21)22)4-5-16(17)18/h4-7,10,13,15,26H,3,8-9,11-12H2,1-2H3.
What are the key properties of 1-[2-ethyl-4-[7-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]propan-2-ol?
1-[2-ethyl-4-[7-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]propan-2-ol has a molecular weight of 367.42 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-ethyl-4-[7-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 133401394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).