ethyl 5-[2-[4-[(2-hydroxycyclohexyl)amino]piperidin-1-yl]-6-methylquinolin-3-yl]-1,2,4-oxadiazole-3-carboxylate

C26H33N5O4 — CID 118263905

IUPACethyl 5-[2-[4-[(2-hydroxycyclohexyl)amino]piperidin-1-yl]-6-methylquinolin-3-yl]-1,2,4-oxadiazole-3-carboxylate
SMILESCCOC(=O)c1noc(-c2cc3cc(C)ccc3nc2N2CCC(NC3CCCCC3O)CC2)n1
InChIInChI=1S/C26H33N5O4/c1-3-34-26(33)23-29-25(35-30-23)19-15-17-14-16(2)8-9-20(17)28-24(19)31-12-10-18(11-13-31)27-21-6-4-5-7-22(21)32/h8-9,14-15,18,21-22,27,32H,3-7,10-13H2,1-2H3
InChIKeyCWJVYOMVODSTQH-UHFFFAOYSA-N
MW479.58 g/mol
LogP3.63
Rot. Bonds6

About ethyl 5-[2-[4-[(2-hydroxycyclohexyl)amino]piperidin-1-yl]-6-methylquinolin-3-yl]-1,2,4-oxadiazole-3-carboxylate

ethyl 5-[2-[4-[(2-hydroxycyclohexyl)amino]piperidin-1-yl]-6-methylquinolin-3-yl]-1,2,4-oxadiazole-3-carboxylate (PubChem CID 118263905) has the molecular formula C26H33N5O4 and a molecular weight of 479.58 g/mol. Its IUPAC name is ethyl 5-[2-[4-[(2-hydroxycyclohexyl)amino]piperidin-1-yl]-6-methylquinolin-3-yl]-1,2,4-oxadiazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[2-[4-[(2-hydroxycyclohexyl)amino]piperidin-1-yl]-6-methylquinolin-3-yl]-1,2,4-oxadiazole-3-carboxylate
PubChem CID118263905
Molecular FormulaC26H33N5O4
Molecular Weight479.58 g/mol
Exact Mass479.25
IUPAC Nameethyl 5-[2-[4-[(2-hydroxycyclohexyl)amino]piperidin-1-yl]-6-methylquinolin-3-yl]-1,2,4-oxadiazole-3-carboxylate
SMILESCCOC(=O)c1noc(-c2cc3cc(C)ccc3nc2N2CCC(NC3CCCCC3O)CC2)n1
InChIInChI=1S/C26H33N5O4/c1-3-34-26(33)23-29-25(35-30-23)19-15-17-14-16(2)8-9-20(17)28-24(19)31-12-10-18(11-13-31)27-21-6-4-5-7-22(21)32/h8-9,14-15,18,21-22,27,32H,3-7,10-13H2,1-2H3
InChIKeyCWJVYOMVODSTQH-UHFFFAOYSA-N
XLogP3.63
TPSA113.61 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.58
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze ethyl 5-[2-[4-[(2-hydroxycyclohexyl)amino]piperidin-1-yl]-6-methylquinolin-3-yl]-1,2,4-oxadiazole-3-carboxylate with MolForge

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Related Compounds

1-(6-Ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-quinolinyl)-N-(tetrahydro-2H-pyran-4-yl)-4-piperidinamine
CID 137434175
1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3S)-oxan-3-yl]piperidin-4-amine
CID 137434120
1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3R)-oxolan-3-yl]piperidin-4-amine
CID 137434196
1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3S)-oxolan-3-yl]piperidin-4-amine
CID 137434366
1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3R)-oxan-3-yl]piperidin-4-amine
CID 137434496
1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3R)-oxan-3-yl]piperidin-4-amine
CID 155527414
1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(2S)-3-methylbutan-2-yl]piperidin-4-amine
CID 155543816
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
1-(6-Methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl)-N-(tetrahydro-2H-pyran-4-yl)piperidin-4-amine
CID 118263805
1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine
CID 118263857
1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(2-methylpropyl)piperidin-4-amine
CID 118263892
1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(2-methylpropyl)piperidin-4-amine
CID 118263923

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[2-[4-[(2-hydroxycyclohexyl)amino]piperidin-1-yl]-6-methylquinolin-3-yl]-1,2,4-oxadiazole-3-carboxylate?
The IUPAC name of ethyl 5-[2-[4-[(2-hydroxycyclohexyl)amino]piperidin-1-yl]-6-methylquinolin-3-yl]-1,2,4-oxadiazole-3-carboxylate (CID 118263905) is ethyl 5-[2-[4-[(2-hydroxycyclohexyl)amino]piperidin-1-yl]-6-methylquinolin-3-yl]-1,2,4-oxadiazole-3-carboxylate.
What is the SMILES notation for ethyl 5-[2-[4-[(2-hydroxycyclohexyl)amino]piperidin-1-yl]-6-methylquinolin-3-yl]-1,2,4-oxadiazole-3-carboxylate?
The canonical SMILES for ethyl 5-[2-[4-[(2-hydroxycyclohexyl)amino]piperidin-1-yl]-6-methylquinolin-3-yl]-1,2,4-oxadiazole-3-carboxylate is CCOC(=O)c1noc(-c2cc3cc(C)ccc3nc2N2CCC(NC3CCCCC3O)CC2)n1.
What is the InChIKey of ethyl 5-[2-[4-[(2-hydroxycyclohexyl)amino]piperidin-1-yl]-6-methylquinolin-3-yl]-1,2,4-oxadiazole-3-carboxylate?
The InChIKey is CWJVYOMVODSTQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O4/c1-3-34-26(33)23-29-25(35-30-23)19-15-17-14-16(2)8-9-20(17)28-24(19)31-12-10-18(11-13-31)27-21-6-4-5-7-22(21)32/h8-9,14-15,18,21-22,27,32H,3-7,10-13H2,1-2H3.
What are the key properties of ethyl 5-[2-[4-[(2-hydroxycyclohexyl)amino]piperidin-1-yl]-6-methylquinolin-3-yl]-1,2,4-oxadiazole-3-carboxylate?
ethyl 5-[2-[4-[(2-hydroxycyclohexyl)amino]piperidin-1-yl]-6-methylquinolin-3-yl]-1,2,4-oxadiazole-3-carboxylate has a molecular weight of 479.58 g/mol, XLogP of 3.63, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[2-[4-[(2-hydroxycyclohexyl)amino]piperidin-1-yl]-6-methylquinolin-3-yl]-1,2,4-oxadiazole-3-carboxylate is sourced from PubChem (CID 118263905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).