[1-[[1-[7-(trifluoromethyl)quinolin-4-yl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol

C20H24F3N3O — CID 133412054

IUPAC[1-[[1-[7-(trifluoromethyl)quinolin-4-yl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1CC1CCCN1c1ccnc2cc(C(F)(F)F)ccc12
InChIInChI=1S/C20H24F3N3O/c21-20(22,23)14-5-6-17-18(11-14)24-8-7-19(17)26-10-2-3-15(26)12-25-9-1-4-16(25)13-27/h5-8,11,15-16,27H,1-4,9-10,12-13H2
InChIKeyGVQQJHRHGDROGP-UHFFFAOYSA-N
MW379.43 g/mol
LogP3.68
Rot. Bonds4

About [1-[[1-[7-(trifluoromethyl)quinolin-4-yl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol

[1-[[1-[7-(trifluoromethyl)quinolin-4-yl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol (PubChem CID 133412054) has the molecular formula C20H24F3N3O and a molecular weight of 379.43 g/mol. Its IUPAC name is [1-[[1-[7-(trifluoromethyl)quinolin-4-yl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[[1-[7-(trifluoromethyl)quinolin-4-yl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol
PubChem CID133412054
Molecular FormulaC20H24F3N3O
Molecular Weight379.43 g/mol
Exact Mass379.19
IUPAC Name[1-[[1-[7-(trifluoromethyl)quinolin-4-yl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1CC1CCCN1c1ccnc2cc(C(F)(F)F)ccc12
InChIInChI=1S/C20H24F3N3O/c21-20(22,23)14-5-6-17-18(11-14)24-8-7-19(17)26-10-2-3-15(26)12-25-9-1-4-16(25)13-27/h5-8,11,15-16,27H,1-4,9-10,12-13H2
InChIKeyGVQQJHRHGDROGP-UHFFFAOYSA-N
XLogP3.68
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.43
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-[[1-[7-(trifluoromethyl)quinolin-4-yl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol with MolForge

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Related Compounds

[1-[[1-(6-bromoquinolin-4-yl)pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol
CID 133378664
[(2S)-1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]methanol
CID 124506768
2-[1-[7-(trifluoromethyl)quinolin-4-yl]piperidin-3-yl]oxyethanol
CID 133401937
(1-quinolin-4-ylpiperidin-2-yl)methanol
CID 61339741
[1-(6,7-diethoxyquinolin-4-yl)pyrrolidin-2-yl]methanol
CID 75512282
[1-[[1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol
CID 133378686
1-[2-ethyl-4-[7-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]propan-2-ol
CID 133401394
N-[1-[7-(trifluoromethyl)quinolin-4-yl]piperidin-3-yl]methanesulfonamide
CID 163354863
[(2R)-1-(quinolin-4-ylmethyl)pyrrolidin-2-yl]methanol
CID 79240208
[1-(quinolin-4-ylmethyl)pyrrolidin-2-yl]methanol
CID 79241362
4-[3-(2,5-dihydropyrrol-1-yl)pyrrolidin-1-yl]-7-(trifluoromethyl)quinoline
CID 133402449
[(2R)-1-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrrolidin-2-yl]methanol
CID 175782254

Frequently Asked Questions

What is the IUPAC name of [1-[[1-[7-(trifluoromethyl)quinolin-4-yl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [1-[[1-[7-(trifluoromethyl)quinolin-4-yl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol (CID 133412054) is [1-[[1-[7-(trifluoromethyl)quinolin-4-yl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[[1-[7-(trifluoromethyl)quinolin-4-yl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[[1-[7-(trifluoromethyl)quinolin-4-yl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol is OCC1CCCN1CC1CCCN1c1ccnc2cc(C(F)(F)F)ccc12.
What is the InChIKey of [1-[[1-[7-(trifluoromethyl)quinolin-4-yl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol?
The InChIKey is GVQQJHRHGDROGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3N3O/c21-20(22,23)14-5-6-17-18(11-14)24-8-7-19(17)26-10-2-3-15(26)12-25-9-1-4-16(25)13-27/h5-8,11,15-16,27H,1-4,9-10,12-13H2.
What are the key properties of [1-[[1-[7-(trifluoromethyl)quinolin-4-yl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol?
[1-[[1-[7-(trifluoromethyl)quinolin-4-yl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol has a molecular weight of 379.43 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[1-[7-(trifluoromethyl)quinolin-4-yl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 133412054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).