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

C25H33N5O2 — CID 118263921

IUPAC2-[[[1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-yl]amino]methyl]cyclohexan-1-ol
SMILESCc1ccc2nc(N3CCC(NCC4CCCCC4O)CC3)c(-c3nc(C)no3)cc2c1
InChIInChI=1S/C25H33N5O2/c1-16-7-8-22-19(13-16)14-21(25-27-17(2)29-32-25)24(28-22)30-11-9-20(10-12-30)26-15-18-5-3-4-6-23(18)31/h7-8,13-14,18,20,23,26,31H,3-6,9-12,15H2,1-2H3
InChIKeyJLCCCFVVLQAXBU-UHFFFAOYSA-N
MW435.57 g/mol
LogP4.01
Rot. Bonds5

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

2-[[[1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-yl]amino]methyl]cyclohexan-1-ol (PubChem CID 118263921) has the molecular formula C25H33N5O2 and a molecular weight of 435.57 g/mol. Its IUPAC name is 2-[[[1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-yl]amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[[1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-yl]amino]methyl]cyclohexan-1-ol
PubChem CID118263921
Molecular FormulaC25H33N5O2
Molecular Weight435.57 g/mol
Exact Mass435.26
IUPAC Name2-[[[1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-yl]amino]methyl]cyclohexan-1-ol
SMILESCc1ccc2nc(N3CCC(NCC4CCCCC4O)CC3)c(-c3nc(C)no3)cc2c1
InChIInChI=1S/C25H33N5O2/c1-16-7-8-22-19(13-16)14-21(25-27-17(2)29-32-25)24(28-22)30-11-9-20(10-12-30)26-15-18-5-3-4-6-23(18)31/h7-8,13-14,18,20,23,26,31H,3-6,9-12,15H2,1-2H3
InChIKeyJLCCCFVVLQAXBU-UHFFFAOYSA-N
XLogP4.01
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 ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[[1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-yl]amino]methyl]cyclohexan-1-ol?
The IUPAC name of 2-[[[1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-yl]amino]methyl]cyclohexan-1-ol (CID 118263921) is 2-[[[1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-yl]amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[[[1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-yl]amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 2-[[[1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-yl]amino]methyl]cyclohexan-1-ol is Cc1ccc2nc(N3CCC(NCC4CCCCC4O)CC3)c(-c3nc(C)no3)cc2c1.
What is the InChIKey of 2-[[[1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-yl]amino]methyl]cyclohexan-1-ol?
The InChIKey is JLCCCFVVLQAXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O2/c1-16-7-8-22-19(13-16)14-21(25-27-17(2)29-32-25)24(28-22)30-11-9-20(10-12-30)26-15-18-5-3-4-6-23(18)31/h7-8,13-14,18,20,23,26,31H,3-6,9-12,15H2,1-2H3.
What are the key properties of 2-[[[1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-yl]amino]methyl]cyclohexan-1-ol?
2-[[[1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-yl]amino]methyl]cyclohexan-1-ol has a molecular weight of 435.57 g/mol, XLogP of 4.01, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-yl]amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 118263921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).