[4-[(2-methoxycyclohexyl)amino]-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-3-yl]methanol

C25H33N5O3 — CID 118263756

IUPAC[4-[(2-methoxycyclohexyl)amino]-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-3-yl]methanol
SMILESCOC1CCCCC1NC1CCN(c2nc3ccccc3cc2-c2nc(C)no2)CC1CO
InChIInChI=1S/C25H33N5O3/c1-16-26-25(33-29-16)19-13-17-7-3-4-8-20(17)28-24(19)30-12-11-21(18(14-30)15-31)27-22-9-5-6-10-23(22)32-2/h3-4,7-8,13,18,21-23,27,31H,5-6,9-12,14-15H2,1-2H3
InChIKeyDRMNXJDXAXEIMU-UHFFFAOYSA-N
MW451.57 g/mol
LogP3.33
Rot. Bonds6

About [4-[(2-methoxycyclohexyl)amino]-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-3-yl]methanol

[4-[(2-methoxycyclohexyl)amino]-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-3-yl]methanol (PubChem CID 118263756) has the molecular formula C25H33N5O3 and a molecular weight of 451.57 g/mol. Its IUPAC name is [4-[(2-methoxycyclohexyl)amino]-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[4-[(2-methoxycyclohexyl)amino]-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-3-yl]methanol
PubChem CID118263756
Molecular FormulaC25H33N5O3
Molecular Weight451.57 g/mol
Exact Mass451.26
IUPAC Name[4-[(2-methoxycyclohexyl)amino]-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-3-yl]methanol
SMILESCOC1CCCCC1NC1CCN(c2nc3ccccc3cc2-c2nc(C)no2)CC1CO
InChIInChI=1S/C25H33N5O3/c1-16-26-25(33-29-16)19-13-17-7-3-4-8-20(17)28-24(19)30-12-11-21(18(14-30)15-31)27-22-9-5-6-10-23(22)32-2/h3-4,7-8,13,18,21-23,27,31H,5-6,9-12,14-15H2,1-2H3
InChIKeyDRMNXJDXAXEIMU-UHFFFAOYSA-N
XLogP3.33
TPSA96.54 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.57
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [4-[(2-methoxycyclohexyl)amino]-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-3-yl]methanol?
The IUPAC name of [4-[(2-methoxycyclohexyl)amino]-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-3-yl]methanol (CID 118263756) is [4-[(2-methoxycyclohexyl)amino]-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-3-yl]methanol.
What is the SMILES notation for [4-[(2-methoxycyclohexyl)amino]-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-3-yl]methanol?
The canonical SMILES for [4-[(2-methoxycyclohexyl)amino]-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-3-yl]methanol is COC1CCCCC1NC1CCN(c2nc3ccccc3cc2-c2nc(C)no2)CC1CO.
What is the InChIKey of [4-[(2-methoxycyclohexyl)amino]-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-3-yl]methanol?
The InChIKey is DRMNXJDXAXEIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O3/c1-16-26-25(33-29-16)19-13-17-7-3-4-8-20(17)28-24(19)30-12-11-21(18(14-30)15-31)27-22-9-5-6-10-23(22)32-2/h3-4,7-8,13,18,21-23,27,31H,5-6,9-12,14-15H2,1-2H3.
What are the key properties of [4-[(2-methoxycyclohexyl)amino]-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-3-yl]methanol?
[4-[(2-methoxycyclohexyl)amino]-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-3-yl]methanol has a molecular weight of 451.57 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-methoxycyclohexyl)amino]-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-3-yl]methanol is sourced from PubChem (CID 118263756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).