ethyl 2-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]-6-methylquinoline-3-carboxylate;1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;ethyl 6-methyl-2-[4-(oxan-4-ylamino)piperidin-1-yl]quinoline-3-carboxylate;1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;N-(oxan-4-yl)-1-(3-pyrimidin-2-ylquinolin-2-yl)piperidin-4-amine;propan-2-yl 2-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]-6-methylquinoline-3-carboxylate

C145H192N24O14 — CID 157455421

About ethyl 2-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]-6-methylquinoline-3-carboxylate;1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;ethyl 6-methyl-2-[4-(oxan-4-ylamino)piperidin-1-yl]quinoline-3-carboxylate;1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;N-(oxan-4-yl)-1-(3-pyrimidin-2-ylquinolin-2-yl)piperidin-4-amine;propan-2-yl 2-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]-6-methylquinoline-3-carboxylate

ethyl 2-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]-6-methylquinoline-3-carboxylate;1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;ethyl 6-methyl-2-[4-(oxan-4-ylamino)piperidin-1-yl]quinoline-3-carboxylate;1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;N-(oxan-4-yl)-1-(3-pyrimidin-2-ylquinolin-2-yl)piperidin-4-amine;propan-2-yl 2-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]-6-methylquinoline-3-carboxylate (PubChem CID 157455421) has the molecular formula C145H192N24O14 and a molecular weight of 2495.28 g/mol. Its IUPAC name is ethyl 2-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]-6-methylquinoline-3-carboxylate;1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;ethyl 6-methyl-2-[4-(oxan-4-ylamino)piperidin-1-yl]quinoline-3-carboxylate;1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;N-(oxan-4-yl)-1-(3-pyrimidin-2-ylquinolin-2-yl)piperidin-4-amine;propan-2-yl 2-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]-6-methylquinoline-3-carboxylate.

Molecular Properties

• Compound Name: ethyl 2-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]-6-methylquinoline-3-carboxylate;1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;ethyl 6-methyl-2-[4-(oxan-4-ylamino)piperidin-1-yl]quinoline-3-carboxylate;1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;N-(oxan-4-yl)-1-(3-pyrimidin-2-ylquinolin-2-yl)piperidin-4-amine;propan-2-yl 2-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]-6-methylquinoline-3-carboxylate
• PubChem CID: 157455421
• Molecular Formula: C145H192N24O14
• Molecular Weight: 2495.28 g/mol
• Exact Mass: 2493.50
• IUPAC Name: ethyl 2-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]-6-methylquinoline-3-carboxylate;1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;ethyl 6-methyl-2-[4-(oxan-4-ylamino)piperidin-1-yl]quinoline-3-carboxylate;1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;N-(oxan-4-yl)-1-(3-pyrimidin-2-ylquinolin-2-yl)piperidin-4-amine;propan-2-yl 2-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]-6-methylquinoline-3-carboxylate
• SMILES: CCOC(=O)c1cc2cc(C)ccc2nc1N1CCC(NC2CCCCC2)C(CO)C1.CCOC(=O)c1cc2cc(C)ccc2nc1N1CCC(NC2CCOCC2)CC1.CCc1ccc2nc(N3CCC(NC4CCOCC4)CC3)c(-c3nc(C)no3)cc2c1.CCc1noc(-c2cc3cc(C)ccc3nc2N2CCC(NC3CCOCC3)CC2)n1.Cc1ccc2nc(N3CCC(NC4CCCCC4)C(CO)C3)c(C(=O)OC(C)C)cc2c1.c1cnc(-c2cc3ccccc3nc2N2CCC(NC3CCOCC3)CC2)nc1
• InChI: InChI=1S/C26H37N3O3.C25H35N3O3.2C24H31N5O2.C23H27N5O.C23H31N3O3/c1-17(2)32-26(31)22-14-19-13-18(3)9-10-23(19)28-25(22)29-12-11-24(20(15-29)16-30)27-21-7-5-4-6-8-21;1-3-31-25(30)21-14-18-13-17(2)9-10-22(18)27-24(21)28-12-11-23(19(15-28)16-29)26-20-7-5-4-6-8-20;1-3-17-4-5-22-18(14-17)15-21(24-25-16(2)28-31-24)23(27-22)29-10-6-19(7-11-29)26-20-8-12-30-13-9-20;1-3-22-27-24(31-28-22)20-15-17-14-16(2)4-5-21(17)26-23(20)29-10-6-18(7-11-29)25-19-8-12-30-13-9-19;1-2-5-21-17(4-1)16-20(22-24-10-3-11-25-22)23(27-21)28-12-6-18(7-13-28)26-19-8-14-29-15-9-19;1-3-29-23(27)20-15-17-14-16(2)4-5-21(17)25-22(20)26-10-6-18(7-11-26)24-19-8-12-28-13-9-19/h9-10,13-14,17,20-21,24,27,30H,4-8,11-12,15-16H2,1-3H3;9-10,13-14,19-20,23,26,29H,3-8,11-12,15-16H2,1-2H3;4-5,14-15,19-20,26H,3,6-13H2,1-2H3;4-5,14-15,18-19,25H,3,6-13H2,1-2H3;1-5,10-11,16,18-19,26H,6-9,12-15H2;4-5,14-15,18-19,24H,3,6-13H2,1-2H3
• InChIKey: BTHIXUCGWJYAQR-UHFFFAOYSA-N
• XLogP: 22.72
• TPSA: 428.86 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 38
• Rotatable Bonds: 31
• Heavy Atoms: 183
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2495.28
LogP ≤ 5	22.72
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]-6-methylquinoline-3-carboxylate;1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;ethyl 6-methyl-2-[4-(oxan-4-ylamino)piperidin-1-yl]quinoline-3-carboxylate;1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;N-(oxan-4-yl)-1-(3-pyrimidin-2-ylquinolin-2-yl)piperidin-4-amine;propan-2-yl 2-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]-6-methylquinoline-3-carboxylate?

The IUPAC name of ethyl 2-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]-6-methylquinoline-3-carboxylate;1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;ethyl 6-methyl-2-[4-(oxan-4-ylamino)piperidin-1-yl]quinoline-3-carboxylate;1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;N-(oxan-4-yl)-1-(3-pyrimidin-2-ylquinolin-2-yl)piperidin-4-amine;propan-2-yl 2-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]-6-methylquinoline-3-carboxylate (CID 157455421) is ethyl 2-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]-6-methylquinoline-3-carboxylate;1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;ethyl 6-methyl-2-[4-(oxan-4-ylamino)piperidin-1-yl]quinoline-3-carboxylate;1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;N-(oxan-4-yl)-1-(3-pyrimidin-2-ylquinolin-2-yl)piperidin-4-amine;propan-2-yl 2-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]-6-methylquinoline-3-carboxylate.

What is the SMILES notation for ethyl 2-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]-6-methylquinoline-3-carboxylate;1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;ethyl 6-methyl-2-[4-(oxan-4-ylamino)piperidin-1-yl]quinoline-3-carboxylate;1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;N-(oxan-4-yl)-1-(3-pyrimidin-2-ylquinolin-2-yl)piperidin-4-amine;propan-2-yl 2-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]-6-methylquinoline-3-carboxylate?

The canonical SMILES for ethyl 2-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]-6-methylquinoline-3-carboxylate;1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;ethyl 6-methyl-2-[4-(oxan-4-ylamino)piperidin-1-yl]quinoline-3-carboxylate;1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;N-(oxan-4-yl)-1-(3-pyrimidin-2-ylquinolin-2-yl)piperidin-4-amine;propan-2-yl 2-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]-6-methylquinoline-3-carboxylate is CCOC(=O)c1cc2cc(C)ccc2nc1N1CCC(NC2CCCCC2)C(CO)C1.CCOC(=O)c1cc2cc(C)ccc2nc1N1CCC(NC2CCOCC2)CC1.CCc1ccc2nc(N3CCC(NC4CCOCC4)CC3)c(-c3nc(C)no3)cc2c1.CCc1noc(-c2cc3cc(C)ccc3nc2N2CCC(NC3CCOCC3)CC2)n1.Cc1ccc2nc(N3CCC(NC4CCCCC4)C(CO)C3)c(C(=O)OC(C)C)cc2c1.c1cnc(-c2cc3ccccc3nc2N2CCC(NC3CCOCC3)CC2)nc1.

What is the InChIKey of ethyl 2-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]-6-methylquinoline-3-carboxylate;1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;ethyl 6-methyl-2-[4-(oxan-4-ylamino)piperidin-1-yl]quinoline-3-carboxylate;1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;N-(oxan-4-yl)-1-(3-pyrimidin-2-ylquinolin-2-yl)piperidin-4-amine;propan-2-yl 2-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]-6-methylquinoline-3-carboxylate?

The InChIKey is BTHIXUCGWJYAQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N3O3.C25H35N3O3.2C24H31N5O2.C23H27N5O.C23H31N3O3/c1-17(2)32-26(31)22-14-19-13-18(3)9-10-23(19)28-25(22)29-12-11-24(20(15-29)16-30)27-21-7-5-4-6-8-21;1-3-31-25(30)21-14-18-13-17(2)9-10-22(18)27-24(21)28-12-11-23(19(15-28)16-29)26-20-7-5-4-6-8-20;1-3-17-4-5-22-18(14-17)15-21(24-25-16(2)28-31-24)23(27-22)29-10-6-19(7-11-29)26-20-8-12-30-13-9-20;1-3-22-27-24(31-28-22)20-15-17-14-16(2)4-5-21(17)26-23(20)29-10-6-18(7-11-29)25-19-8-12-30-13-9-19;1-2-5-21-17(4-1)16-20(22-24-10-3-11-25-22)23(27-21)28-12-6-18(7-13-28)26-19-8-14-29-15-9-19;1-3-29-23(27)20-15-17-14-16(2)4-5-21(17)25-22(20)26-10-6-18(7-11-26)24-19-8-12-28-13-9-19/h9-10,13-14,17,20-21,24,27,30H,4-8,11-12,15-16H2,1-3H3;9-10,13-14,19-20,23,26,29H,3-8,11-12,15-16H2,1-2H3;4-5,14-15,19-20,26H,3,6-13H2,1-2H3;4-5,14-15,18-19,25H,3,6-13H2,1-2H3;1-5,10-11,16,18-19,26H,6-9,12-15H2;4-5,14-15,18-19,24H,3,6-13H2,1-2H3.

What are the key properties of ethyl 2-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]-6-methylquinoline-3-carboxylate;1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;ethyl 6-methyl-2-[4-(oxan-4-ylamino)piperidin-1-yl]quinoline-3-carboxylate;1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;N-(oxan-4-yl)-1-(3-pyrimidin-2-ylquinolin-2-yl)piperidin-4-amine;propan-2-yl 2-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]-6-methylquinoline-3-carboxylate?

ethyl 2-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]-6-methylquinoline-3-carboxylate;1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;ethyl 6-methyl-2-[4-(oxan-4-ylamino)piperidin-1-yl]quinoline-3-carboxylate;1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;N-(oxan-4-yl)-1-(3-pyrimidin-2-ylquinolin-2-yl)piperidin-4-amine;propan-2-yl 2-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]-6-methylquinoline-3-carboxylate has a molecular weight of 2495.28 g/mol, XLogP of 22.72, 31 rotatable bonds, 8 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]-6-methylquinoline-3-carboxylate;1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;ethyl 6-methyl-2-[4-(oxan-4-ylamino)piperidin-1-yl]quinoline-3-carboxylate;1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;N-(oxan-4-yl)-1-(3-pyrimidin-2-ylquinolin-2-yl)piperidin-4-amine;propan-2-yl 2-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]-6-methylquinoline-3-carboxylate is sourced from PubChem (CID 157455421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).