ethyl 4-(4-aminopiperidin-1-yl)-6,8-dimethylquinoline-3-carboxylate;ethyl 4-(3-anilinopropylamino)-6,8-dimethylquinoline-3-carboxylate;ethyl 4-[3-(benzylamino)propylamino]-6,8-dimethylquinoline-3-carboxylate;ethyl 4-[4-[(dimethylamino)methyl]piperidin-1-yl]-6,8-dimethylquinoline-3-carboxylate;ethyl 4-[4-(dimethylamino)piperidin-1-yl]-6,8-dimethylquinoline-3-carboxylate

C109H141N15O10 — CID 159204221

IUPACethyl 4-(4-aminopiperidin-1-yl)-6,8-dimethylquinoline-3-carboxylate;ethyl 4-(3-anilinopropylamino)-6,8-dimethylquinoline-3-carboxylate;ethyl 4-[3-(benzylamino)propylamino]-6,8-dimethylquinoline-3-carboxylate;ethyl 4-[4-[(dimethylamino)methyl]piperidin-1-yl]-6,8-dimethylquinoline-3-carboxylate;ethyl 4-[4-(dimethylamino)piperidin-1-yl]-6,8-dimethylquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(C)cc(C)cc2c1N1CCC(CN(C)C)CC1.CCOC(=O)c1cnc2c(C)cc(C)cc2c1N1CCC(N(C)C)CC1.CCOC(=O)c1cnc2c(C)cc(C)cc2c1N1CCC(N)CC1.CCOC(=O)c1cnc2c(C)cc(C)cc2c1NCCCNCc1ccccc1.CCOC(=O)c1cnc2c(C)cc(C)cc2c1NCCCNc1ccccc1
InChIInChI=1S/C24H29N3O2.C23H27N3O2.C22H31N3O2.C21H29N3O2.C19H25N3O2/c1-4-29-24(28)21-16-27-22-18(3)13-17(2)14-20(22)23(21)26-12-8-11-25-15-19-9-6-5-7-10-19;1-4-28-23(27)20-15-26-21-17(3)13-16(2)14-19(21)22(20)25-12-8-11-24-18-9-6-5-7-10-18;1-6-27-22(26)19-13-23-20-16(3)11-15(2)12-18(20)21(19)25-9-7-17(8-10-25)14-24(4)5;1-6-26-21(25)18-13-22-19-15(3)11-14(2)12-17(19)20(18)24-9-7-16(8-10-24)23(4)5;1-4-24-19(23)16-11-21-17-13(3)9-12(2)10-15(17)18(16)22-7-5-14(20)6-8-22/h5-7,9-10,13-14,16,25H,4,8,11-12,15H2,1-3H3,(H,26,27);5-7,9-10,13-15,24H,4,8,11-12H2,1-3H3,(H,25,26);11-13,17H,6-10,14H2,1-5H3;11-13,16H,6-10H2,1-5H3;9-11,14H,4-8,20H2,1-3H3
InChIKeyKPRABWGJSNFRTH-UHFFFAOYSA-N
MW1821.42 g/mol
LogP19.88
Rot. Bonds29

About ethyl 4-(4-aminopiperidin-1-yl)-6,8-dimethylquinoline-3-carboxylate;ethyl 4-(3-anilinopropylamino)-6,8-dimethylquinoline-3-carboxylate;ethyl 4-[3-(benzylamino)propylamino]-6,8-dimethylquinoline-3-carboxylate;ethyl 4-[4-[(dimethylamino)methyl]piperidin-1-yl]-6,8-dimethylquinoline-3-carboxylate;ethyl 4-[4-(dimethylamino)piperidin-1-yl]-6,8-dimethylquinoline-3-carboxylate

ethyl 4-(4-aminopiperidin-1-yl)-6,8-dimethylquinoline-3-carboxylate;ethyl 4-(3-anilinopropylamino)-6,8-dimethylquinoline-3-carboxylate;ethyl 4-[3-(benzylamino)propylamino]-6,8-dimethylquinoline-3-carboxylate;ethyl 4-[4-[(dimethylamino)methyl]piperidin-1-yl]-6,8-dimethylquinoline-3-carboxylate;ethyl 4-[4-(dimethylamino)piperidin-1-yl]-6,8-dimethylquinoline-3-carboxylate (PubChem CID 159204221) has the molecular formula C109H141N15O10 and a molecular weight of 1821.42 g/mol. Its IUPAC name is ethyl 4-(4-aminopiperidin-1-yl)-6,8-dimethylquinoline-3-carboxylate;ethyl 4-(3-anilinopropylamino)-6,8-dimethylquinoline-3-carboxylate;ethyl 4-[3-(benzylamino)propylamino]-6,8-dimethylquinoline-3-carboxylate;ethyl 4-[4-[(dimethylamino)methyl]piperidin-1-yl]-6,8-dimethylquinoline-3-carboxylate;ethyl 4-[4-(dimethylamino)piperidin-1-yl]-6,8-dimethylquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-aminopiperidin-1-yl)-6,8-dimethylquinoline-3-carboxylate;ethyl 4-(3-anilinopropylamino)-6,8-dimethylquinoline-3-carboxylate;ethyl 4-[3-(benzylamino)propylamino]-6,8-dimethylquinoline-3-carboxylate;ethyl 4-[4-[(dimethylamino)methyl]piperidin-1-yl]-6,8-dimethylquinoline-3-carboxylate;ethyl 4-[4-(dimethylamino)piperidin-1-yl]-6,8-dimethylquinoline-3-carboxylate
PubChem CID159204221
Molecular FormulaC109H141N15O10
Molecular Weight1821.42 g/mol
Exact Mass1820.10
IUPAC Nameethyl 4-(4-aminopiperidin-1-yl)-6,8-dimethylquinoline-3-carboxylate;ethyl 4-(3-anilinopropylamino)-6,8-dimethylquinoline-3-carboxylate;ethyl 4-[3-(benzylamino)propylamino]-6,8-dimethylquinoline-3-carboxylate;ethyl 4-[4-[(dimethylamino)methyl]piperidin-1-yl]-6,8-dimethylquinoline-3-carboxylate;ethyl 4-[4-(dimethylamino)piperidin-1-yl]-6,8-dimethylquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(C)cc(C)cc2c1N1CCC(CN(C)C)CC1.CCOC(=O)c1cnc2c(C)cc(C)cc2c1N1CCC(N(C)C)CC1.CCOC(=O)c1cnc2c(C)cc(C)cc2c1N1CCC(N)CC1.CCOC(=O)c1cnc2c(C)cc(C)cc2c1NCCCNCc1ccccc1.CCOC(=O)c1cnc2c(C)cc(C)cc2c1NCCCNc1ccccc1
InChIInChI=1S/C24H29N3O2.C23H27N3O2.C22H31N3O2.C21H29N3O2.C19H25N3O2/c1-4-29-24(28)21-16-27-22-18(3)13-17(2)14-20(22)23(21)26-12-8-11-25-15-19-9-6-5-7-10-19;1-4-28-23(27)20-15-26-21-17(3)13-16(2)14-19(21)22(20)25-12-8-11-24-18-9-6-5-7-10-18;1-6-27-22(26)19-13-23-20-16(3)11-15(2)12-18(20)21(19)25-9-7-17(8-10-25)14-24(4)5;1-6-26-21(25)18-13-22-19-15(3)11-14(2)12-17(19)20(18)24-9-7-16(8-10-24)23(4)5;1-4-24-19(23)16-11-21-17-13(3)9-12(2)10-15(17)18(16)22-7-5-14(20)6-8-22/h5-7,9-10,13-14,16,25H,4,8,11-12,15H2,1-3H3,(H,26,27);5-7,9-10,13-15,24H,4,8,11-12H2,1-3H3,(H,25,26);11-13,17H,6-10,14H2,1-5H3;11-13,16H,6-10H2,1-5H3;9-11,14H,4-8,20H2,1-3H3
InChIKeyKPRABWGJSNFRTH-UHFFFAOYSA-N
XLogP19.88
TPSA286.29 Ų
H-Bond Donors5
H-Bond Acceptors25
Rotatable Bonds29
Heavy Atoms134
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001821.42
LogP ≤ 519.88
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

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

Analyze ethyl 4-(4-aminopiperidin-1-yl)-6,8-dimethylquinoline-3-carboxylate;ethyl 4-(3-anilinopropylamino)-6,8-dimethylquinoline-3-carboxylate;ethyl 4-[3-(benzylamino)propylamino]-6,8-dimethylquinoline-3-carboxylate;ethyl 4-[4-[(dimethylamino)methyl]piperidin-1-yl]-6,8-dimethylquinoline-3-carboxylate;ethyl 4-[4-(dimethylamino)piperidin-1-yl]-6,8-dimethylquinoline-3-carboxylate with MolForge

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Related Compounds

Ethyl 8-methyl-4-(3-morpholin-4-ylpropylamino)quinoline-3-carboxylate
CID 1568488
Ethyl 4-((4-(diethylamino)phenyl)amino)-6-methylquinoline-3-carboxylate
CID 1568449
ethyl 4-[3-[5-oxo-4-(quinolin-5-ylamino)-7,8-dihydro-6H-1,6-naphthyridin-2-yl]phenyl]benzoate
CID 53492819
Ethyl 4-[benzyl(methyl)amino]-6-methylquinoline-3-carboxylate
CID 696527
Ethyl 4-(4-acetylanilino)-8-methylquinoline-3-carboxylate
CID 705510
Ethyl 6-methyl-4-{[4-(4-morpholinyl)phenyl]amino}-3-quinolinecarboxylate
CID 1190554
Ethyl 8-oxo-6,10,20-triazapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(20),2(7),3,5,9,11,13(21),14,16,18-decaene-4-carboxylate
CID 11100338
Methyl 3-butyryl-4-(2-methylphenylamino)quinoline-8-carboxylate
CID 11726157
Ethyl 4-(2-methylanilino)quinoline-3-carboxylate;hydrochloride
CID 13038515
Ethyl 8-methyl-4-{[2-(4-morpholinyl)ethyl]amino}-3-quinolinecarboxylate
CID 702832
Ethyl 4-[(3-acetylphenyl)amino]-8-methylquinoline-3-carboxylate
CID 730936
Ethyl 4-[(4-acetylphenyl)amino]quinoline-3-carboxylate
CID 731738

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-aminopiperidin-1-yl)-6,8-dimethylquinoline-3-carboxylate;ethyl 4-(3-anilinopropylamino)-6,8-dimethylquinoline-3-carboxylate;ethyl 4-[3-(benzylamino)propylamino]-6,8-dimethylquinoline-3-carboxylate;ethyl 4-[4-[(dimethylamino)methyl]piperidin-1-yl]-6,8-dimethylquinoline-3-carboxylate;ethyl 4-[4-(dimethylamino)piperidin-1-yl]-6,8-dimethylquinoline-3-carboxylate?
The IUPAC name of ethyl 4-(4-aminopiperidin-1-yl)-6,8-dimethylquinoline-3-carboxylate;ethyl 4-(3-anilinopropylamino)-6,8-dimethylquinoline-3-carboxylate;ethyl 4-[3-(benzylamino)propylamino]-6,8-dimethylquinoline-3-carboxylate;ethyl 4-[4-[(dimethylamino)methyl]piperidin-1-yl]-6,8-dimethylquinoline-3-carboxylate;ethyl 4-[4-(dimethylamino)piperidin-1-yl]-6,8-dimethylquinoline-3-carboxylate (CID 159204221) is ethyl 4-(4-aminopiperidin-1-yl)-6,8-dimethylquinoline-3-carboxylate;ethyl 4-(3-anilinopropylamino)-6,8-dimethylquinoline-3-carboxylate;ethyl 4-[3-(benzylamino)propylamino]-6,8-dimethylquinoline-3-carboxylate;ethyl 4-[4-[(dimethylamino)methyl]piperidin-1-yl]-6,8-dimethylquinoline-3-carboxylate;ethyl 4-[4-(dimethylamino)piperidin-1-yl]-6,8-dimethylquinoline-3-carboxylate.
What is the SMILES notation for ethyl 4-(4-aminopiperidin-1-yl)-6,8-dimethylquinoline-3-carboxylate;ethyl 4-(3-anilinopropylamino)-6,8-dimethylquinoline-3-carboxylate;ethyl 4-[3-(benzylamino)propylamino]-6,8-dimethylquinoline-3-carboxylate;ethyl 4-[4-[(dimethylamino)methyl]piperidin-1-yl]-6,8-dimethylquinoline-3-carboxylate;ethyl 4-[4-(dimethylamino)piperidin-1-yl]-6,8-dimethylquinoline-3-carboxylate?
The canonical SMILES for ethyl 4-(4-aminopiperidin-1-yl)-6,8-dimethylquinoline-3-carboxylate;ethyl 4-(3-anilinopropylamino)-6,8-dimethylquinoline-3-carboxylate;ethyl 4-[3-(benzylamino)propylamino]-6,8-dimethylquinoline-3-carboxylate;ethyl 4-[4-[(dimethylamino)methyl]piperidin-1-yl]-6,8-dimethylquinoline-3-carboxylate;ethyl 4-[4-(dimethylamino)piperidin-1-yl]-6,8-dimethylquinoline-3-carboxylate is CCOC(=O)c1cnc2c(C)cc(C)cc2c1N1CCC(CN(C)C)CC1.CCOC(=O)c1cnc2c(C)cc(C)cc2c1N1CCC(N(C)C)CC1.CCOC(=O)c1cnc2c(C)cc(C)cc2c1N1CCC(N)CC1.CCOC(=O)c1cnc2c(C)cc(C)cc2c1NCCCNCc1ccccc1.CCOC(=O)c1cnc2c(C)cc(C)cc2c1NCCCNc1ccccc1.
What is the InChIKey of ethyl 4-(4-aminopiperidin-1-yl)-6,8-dimethylquinoline-3-carboxylate;ethyl 4-(3-anilinopropylamino)-6,8-dimethylquinoline-3-carboxylate;ethyl 4-[3-(benzylamino)propylamino]-6,8-dimethylquinoline-3-carboxylate;ethyl 4-[4-[(dimethylamino)methyl]piperidin-1-yl]-6,8-dimethylquinoline-3-carboxylate;ethyl 4-[4-(dimethylamino)piperidin-1-yl]-6,8-dimethylquinoline-3-carboxylate?
The InChIKey is KPRABWGJSNFRTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2.C23H27N3O2.C22H31N3O2.C21H29N3O2.C19H25N3O2/c1-4-29-24(28)21-16-27-22-18(3)13-17(2)14-20(22)23(21)26-12-8-11-25-15-19-9-6-5-7-10-19;1-4-28-23(27)20-15-26-21-17(3)13-16(2)14-19(21)22(20)25-12-8-11-24-18-9-6-5-7-10-18;1-6-27-22(26)19-13-23-20-16(3)11-15(2)12-18(20)21(19)25-9-7-17(8-10-25)14-24(4)5;1-6-26-21(25)18-13-22-19-15(3)11-14(2)12-17(19)20(18)24-9-7-16(8-10-24)23(4)5;1-4-24-19(23)16-11-21-17-13(3)9-12(2)10-15(17)18(16)22-7-5-14(20)6-8-22/h5-7,9-10,13-14,16,25H,4,8,11-12,15H2,1-3H3,(H,26,27);5-7,9-10,13-15,24H,4,8,11-12H2,1-3H3,(H,25,26);11-13,17H,6-10,14H2,1-5H3;11-13,16H,6-10H2,1-5H3;9-11,14H,4-8,20H2,1-3H3.
What are the key properties of ethyl 4-(4-aminopiperidin-1-yl)-6,8-dimethylquinoline-3-carboxylate;ethyl 4-(3-anilinopropylamino)-6,8-dimethylquinoline-3-carboxylate;ethyl 4-[3-(benzylamino)propylamino]-6,8-dimethylquinoline-3-carboxylate;ethyl 4-[4-[(dimethylamino)methyl]piperidin-1-yl]-6,8-dimethylquinoline-3-carboxylate;ethyl 4-[4-(dimethylamino)piperidin-1-yl]-6,8-dimethylquinoline-3-carboxylate?
ethyl 4-(4-aminopiperidin-1-yl)-6,8-dimethylquinoline-3-carboxylate;ethyl 4-(3-anilinopropylamino)-6,8-dimethylquinoline-3-carboxylate;ethyl 4-[3-(benzylamino)propylamino]-6,8-dimethylquinoline-3-carboxylate;ethyl 4-[4-[(dimethylamino)methyl]piperidin-1-yl]-6,8-dimethylquinoline-3-carboxylate;ethyl 4-[4-(dimethylamino)piperidin-1-yl]-6,8-dimethylquinoline-3-carboxylate has a molecular weight of 1821.42 g/mol, XLogP of 19.88, 29 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-aminopiperidin-1-yl)-6,8-dimethylquinoline-3-carboxylate;ethyl 4-(3-anilinopropylamino)-6,8-dimethylquinoline-3-carboxylate;ethyl 4-[3-(benzylamino)propylamino]-6,8-dimethylquinoline-3-carboxylate;ethyl 4-[4-[(dimethylamino)methyl]piperidin-1-yl]-6,8-dimethylquinoline-3-carboxylate;ethyl 4-[4-(dimethylamino)piperidin-1-yl]-6,8-dimethylquinoline-3-carboxylate is sourced from PubChem (CID 159204221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).