trans-(1S,2S)-2-[[1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-yl]amino]cyclohexan-1-ol

C25H33N5O2 — CID 155551744

IUPACtrans-(1S,2S)-2-[[1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-yl]amino]cyclohexan-1-ol
SMILESCCc1ccc2nc(N3CCC(N[C@H]4CCCC[C@@H]4O)CC3)c(-c3nc(C)no3)cc2c1
InChIInChI=1S/C25H33N5O2/c1-3-17-8-9-21-18(14-17)15-20(25-26-16(2)29-32-25)24(28-21)30-12-10-19(11-13-30)27-22-6-4-5-7-23(22)31/h8-9,14-15,19,22-23,27,31H,3-7,10-13H2,1-2H3/t22-,23-/m0/s1
InChIKeyUPIGINOFGWONOH-GOTSBHOMSA-N
MW435.57 g/mol
LogP4.02
Rot. Bonds5

About trans-(1S,2S)-2-[[1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-yl]amino]cyclohexan-1-ol

trans-(1S,2S)-2-[[1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-yl]amino]cyclohexan-1-ol (PubChem CID 155551744) has the molecular formula C25H33N5O2 and a molecular weight of 435.57 g/mol. Its IUPAC name is trans-(1S,2S)-2-[[1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-[[1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-yl]amino]cyclohexan-1-ol
PubChem CID155551744
Molecular FormulaC25H33N5O2
Molecular Weight435.57 g/mol
Exact Mass435.26
IUPAC Nametrans-(1S,2S)-2-[[1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-yl]amino]cyclohexan-1-ol
SMILESCCc1ccc2nc(N3CCC(N[C@H]4CCCC[C@@H]4O)CC3)c(-c3nc(C)no3)cc2c1
InChIInChI=1S/C25H33N5O2/c1-3-17-8-9-21-18(14-17)15-20(25-26-16(2)29-32-25)24(28-21)30-12-10-19(11-13-30)27-22-6-4-5-7-23(22)31/h8-9,14-15,19,22-23,27,31H,3-7,10-13H2,1-2H3/t22-,23-/m0/s1
InChIKeyUPIGINOFGWONOH-GOTSBHOMSA-N
XLogP4.02
TPSA87.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze trans-(1S,2S)-2-[[1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-yl]amino]cyclohexan-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-[[1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-yl]amino]cyclohexan-1-ol?
The IUPAC name of trans-(1S,2S)-2-[[1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-yl]amino]cyclohexan-1-ol (CID 155551744) is trans-(1S,2S)-2-[[1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-[[1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-yl]amino]cyclohexan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-[[1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-yl]amino]cyclohexan-1-ol is CCc1ccc2nc(N3CCC(N[C@H]4CCCC[C@@H]4O)CC3)c(-c3nc(C)no3)cc2c1.
What is the InChIKey of trans-(1S,2S)-2-[[1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-yl]amino]cyclohexan-1-ol?
The InChIKey is UPIGINOFGWONOH-GOTSBHOMSA-N. The full InChI is InChI=1S/C25H33N5O2/c1-3-17-8-9-21-18(14-17)15-20(25-26-16(2)29-32-25)24(28-21)30-12-10-19(11-13-30)27-22-6-4-5-7-23(22)31/h8-9,14-15,19,22-23,27,31H,3-7,10-13H2,1-2H3/t22-,23-/m0/s1.
What are the key properties of trans-(1S,2S)-2-[[1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-yl]amino]cyclohexan-1-ol?
trans-(1S,2S)-2-[[1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-yl]amino]cyclohexan-1-ol has a molecular weight of 435.57 g/mol, XLogP of 4.02, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-[[1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 155551744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).