ethyl 7-chloro-4-[2-(dimethylamino)ethylamino]-8-methylquinoline-3-carboxylate;ethyl 6,8-dichloro-4-[2-(2-hydroxyethoxy)ethylamino]quinoline-3-carboxylate;ethyl 7,8-dichloro-4-[2-(thiophene-2-carbonyloxy)ethylamino]quinoline-3-carboxylate;ethyl 4-[3-(dimethylamino)propylamino]-6,8-dimethylquinoline-3-carboxylate;ethyl 6-methyl-4-(3-morpholin-4-ylpropylamino)quinoline-3-carboxylate;ethyl 8-methyl-4-(3-morpholin-4-ylpropylamino)quinoline-3-carboxylate

C111H137Cl5N16O18S — CID 160850084

IUPACethyl 7-chloro-4-[2-(dimethylamino)ethylamino]-8-methylquinoline-3-carboxylate;ethyl 6,8-dichloro-4-[2-(2-hydroxyethoxy)ethylamino]quinoline-3-carboxylate;ethyl 7,8-dichloro-4-[2-(thiophene-2-carbonyloxy)ethylamino]quinoline-3-carboxylate;ethyl 4-[3-(dimethylamino)propylamino]-6,8-dimethylquinoline-3-carboxylate;ethyl 6-methyl-4-(3-morpholin-4-ylpropylamino)quinoline-3-carboxylate;ethyl 8-methyl-4-(3-morpholin-4-ylpropylamino)quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(C)c(Cl)ccc2c1NCCN(C)C.CCOC(=O)c1cnc2c(C)cc(C)cc2c1NCCCN(C)C.CCOC(=O)c1cnc2c(C)cccc2c1NCCCN1CCOCC1.CCOC(=O)c1cnc2c(Cl)c(Cl)ccc2c1NCCOC(=O)c1cccs1.CCOC(=O)c1cnc2c(Cl)cc(Cl)cc2c1NCCOCCO.CCOC(=O)c1cnc2ccc(C)cc2c1NCCCN1CCOCC1
InChIInChI=1S/2C20H27N3O3.C19H16Cl2N2O4S.C19H27N3O2.C17H22ClN3O2.C16H18Cl2N2O4/c1-3-26-20(24)17-14-22-18-6-5-15(2)13-16(18)19(17)21-7-4-8-23-9-11-25-12-10-23;1-3-26-20(24)17-14-22-18-15(2)6-4-7-16(18)19(17)21-8-5-9-23-10-12-25-13-11-23;1-2-26-18(24)12-10-23-17-11(5-6-13(20)15(17)21)16(12)22-7-8-27-19(25)14-4-3-9-28-14;1-6-24-19(23)16-12-21-17-14(3)10-13(2)11-15(17)18(16)20-8-7-9-22(4)5;1-5-23-17(22)13-10-20-15-11(2)14(18)7-6-12(15)16(13)19-8-9-21(3)4;1-2-24-16(22)12-9-20-15-11(7-10(17)8-13(15)18)14(12)19-3-5-23-6-4-21/h5-6,13-14H,3-4,7-12H2,1-2H3,(H,21,22);4,6-7,14H,3,5,8-13H2,1-2H3,(H,21,22);3-6,9-10H,2,7-8H2,1H3,(H,22,23);10-12H,6-9H2,1-5H3,(H,20,21);6-7,10H,5,8-9H2,1-4H3,(H,19,20);7-9,21H,2-6H2,1H3,(H,19,20)
InChIKeySJDLUUXAEMVWJT-UHFFFAOYSA-N
MW2192.74 g/mol
LogP20.63
Rot. Bonds42

About ethyl 7-chloro-4-[2-(dimethylamino)ethylamino]-8-methylquinoline-3-carboxylate;ethyl 6,8-dichloro-4-[2-(2-hydroxyethoxy)ethylamino]quinoline-3-carboxylate;ethyl 7,8-dichloro-4-[2-(thiophene-2-carbonyloxy)ethylamino]quinoline-3-carboxylate;ethyl 4-[3-(dimethylamino)propylamino]-6,8-dimethylquinoline-3-carboxylate;ethyl 6-methyl-4-(3-morpholin-4-ylpropylamino)quinoline-3-carboxylate;ethyl 8-methyl-4-(3-morpholin-4-ylpropylamino)quinoline-3-carboxylate

ethyl 7-chloro-4-[2-(dimethylamino)ethylamino]-8-methylquinoline-3-carboxylate;ethyl 6,8-dichloro-4-[2-(2-hydroxyethoxy)ethylamino]quinoline-3-carboxylate;ethyl 7,8-dichloro-4-[2-(thiophene-2-carbonyloxy)ethylamino]quinoline-3-carboxylate;ethyl 4-[3-(dimethylamino)propylamino]-6,8-dimethylquinoline-3-carboxylate;ethyl 6-methyl-4-(3-morpholin-4-ylpropylamino)quinoline-3-carboxylate;ethyl 8-methyl-4-(3-morpholin-4-ylpropylamino)quinoline-3-carboxylate (PubChem CID 160850084) has the molecular formula C111H137Cl5N16O18S and a molecular weight of 2192.74 g/mol. Its IUPAC name is ethyl 7-chloro-4-[2-(dimethylamino)ethylamino]-8-methylquinoline-3-carboxylate;ethyl 6,8-dichloro-4-[2-(2-hydroxyethoxy)ethylamino]quinoline-3-carboxylate;ethyl 7,8-dichloro-4-[2-(thiophene-2-carbonyloxy)ethylamino]quinoline-3-carboxylate;ethyl 4-[3-(dimethylamino)propylamino]-6,8-dimethylquinoline-3-carboxylate;ethyl 6-methyl-4-(3-morpholin-4-ylpropylamino)quinoline-3-carboxylate;ethyl 8-methyl-4-(3-morpholin-4-ylpropylamino)quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 7-chloro-4-[2-(dimethylamino)ethylamino]-8-methylquinoline-3-carboxylate;ethyl 6,8-dichloro-4-[2-(2-hydroxyethoxy)ethylamino]quinoline-3-carboxylate;ethyl 7,8-dichloro-4-[2-(thiophene-2-carbonyloxy)ethylamino]quinoline-3-carboxylate;ethyl 4-[3-(dimethylamino)propylamino]-6,8-dimethylquinoline-3-carboxylate;ethyl 6-methyl-4-(3-morpholin-4-ylpropylamino)quinoline-3-carboxylate;ethyl 8-methyl-4-(3-morpholin-4-ylpropylamino)quinoline-3-carboxylate
PubChem CID160850084
Molecular FormulaC111H137Cl5N16O18S
Molecular Weight2192.74 g/mol
Exact Mass2188.85
IUPAC Nameethyl 7-chloro-4-[2-(dimethylamino)ethylamino]-8-methylquinoline-3-carboxylate;ethyl 6,8-dichloro-4-[2-(2-hydroxyethoxy)ethylamino]quinoline-3-carboxylate;ethyl 7,8-dichloro-4-[2-(thiophene-2-carbonyloxy)ethylamino]quinoline-3-carboxylate;ethyl 4-[3-(dimethylamino)propylamino]-6,8-dimethylquinoline-3-carboxylate;ethyl 6-methyl-4-(3-morpholin-4-ylpropylamino)quinoline-3-carboxylate;ethyl 8-methyl-4-(3-morpholin-4-ylpropylamino)quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(C)c(Cl)ccc2c1NCCN(C)C.CCOC(=O)c1cnc2c(C)cc(C)cc2c1NCCCN(C)C.CCOC(=O)c1cnc2c(C)cccc2c1NCCCN1CCOCC1.CCOC(=O)c1cnc2c(Cl)c(Cl)ccc2c1NCCOC(=O)c1cccs1.CCOC(=O)c1cnc2c(Cl)cc(Cl)cc2c1NCCOCCO.CCOC(=O)c1cnc2ccc(C)cc2c1NCCCN1CCOCC1
InChIInChI=1S/2C20H27N3O3.C19H16Cl2N2O4S.C19H27N3O2.C17H22ClN3O2.C16H18Cl2N2O4/c1-3-26-20(24)17-14-22-18-6-5-15(2)13-16(18)19(17)21-7-4-8-23-9-11-25-12-10-23;1-3-26-20(24)17-14-22-18-15(2)6-4-7-16(18)19(17)21-8-5-9-23-10-12-25-13-11-23;1-2-26-18(24)12-10-23-17-11(5-6-13(20)15(17)21)16(12)22-7-8-27-19(25)14-4-3-9-28-14;1-6-24-19(23)16-12-21-17-14(3)10-13(2)11-15(17)18(16)20-8-7-9-22(4)5;1-5-23-17(22)13-10-20-15-11(2)14(18)7-6-12(15)16(13)19-8-9-21(3)4;1-2-24-16(22)12-9-20-15-11(7-10(17)8-13(15)18)14(12)19-3-5-23-6-4-21/h5-6,13-14H,3-4,7-12H2,1-2H3,(H,21,22);4,6-7,14H,3,5,8-13H2,1-2H3,(H,21,22);3-6,9-10H,2,7-8H2,1H3,(H,22,23);10-12H,6-9H2,1-5H3,(H,20,21);6-7,10H,5,8-9H2,1-4H3,(H,19,20);7-9,21H,2-6H2,1H3,(H,19,20)
InChIKeySJDLUUXAEMVWJT-UHFFFAOYSA-N
XLogP20.63
TPSA394.50 Ų
H-Bond Donors7
H-Bond Acceptors35
Rotatable Bonds42
Heavy Atoms151
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002192.74
LogP ≤ 520.63
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

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

Analyze ethyl 7-chloro-4-[2-(dimethylamino)ethylamino]-8-methylquinoline-3-carboxylate;ethyl 6,8-dichloro-4-[2-(2-hydroxyethoxy)ethylamino]quinoline-3-carboxylate;ethyl 7,8-dichloro-4-[2-(thiophene-2-carbonyloxy)ethylamino]quinoline-3-carboxylate;ethyl 4-[3-(dimethylamino)propylamino]-6,8-dimethylquinoline-3-carboxylate;ethyl 6-methyl-4-(3-morpholin-4-ylpropylamino)quinoline-3-carboxylate;ethyl 8-methyl-4-(3-morpholin-4-ylpropylamino)quinoline-3-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 7-chloro-4-[2-(dimethylamino)ethylamino]-8-methylquinoline-3-carboxylate;ethyl 6,8-dichloro-4-[2-(2-hydroxyethoxy)ethylamino]quinoline-3-carboxylate;ethyl 7,8-dichloro-4-[2-(thiophene-2-carbonyloxy)ethylamino]quinoline-3-carboxylate;ethyl 4-[3-(dimethylamino)propylamino]-6,8-dimethylquinoline-3-carboxylate;ethyl 6-methyl-4-(3-morpholin-4-ylpropylamino)quinoline-3-carboxylate;ethyl 8-methyl-4-(3-morpholin-4-ylpropylamino)quinoline-3-carboxylate?
The IUPAC name of ethyl 7-chloro-4-[2-(dimethylamino)ethylamino]-8-methylquinoline-3-carboxylate;ethyl 6,8-dichloro-4-[2-(2-hydroxyethoxy)ethylamino]quinoline-3-carboxylate;ethyl 7,8-dichloro-4-[2-(thiophene-2-carbonyloxy)ethylamino]quinoline-3-carboxylate;ethyl 4-[3-(dimethylamino)propylamino]-6,8-dimethylquinoline-3-carboxylate;ethyl 6-methyl-4-(3-morpholin-4-ylpropylamino)quinoline-3-carboxylate;ethyl 8-methyl-4-(3-morpholin-4-ylpropylamino)quinoline-3-carboxylate (CID 160850084) is ethyl 7-chloro-4-[2-(dimethylamino)ethylamino]-8-methylquinoline-3-carboxylate;ethyl 6,8-dichloro-4-[2-(2-hydroxyethoxy)ethylamino]quinoline-3-carboxylate;ethyl 7,8-dichloro-4-[2-(thiophene-2-carbonyloxy)ethylamino]quinoline-3-carboxylate;ethyl 4-[3-(dimethylamino)propylamino]-6,8-dimethylquinoline-3-carboxylate;ethyl 6-methyl-4-(3-morpholin-4-ylpropylamino)quinoline-3-carboxylate;ethyl 8-methyl-4-(3-morpholin-4-ylpropylamino)quinoline-3-carboxylate.
What is the SMILES notation for ethyl 7-chloro-4-[2-(dimethylamino)ethylamino]-8-methylquinoline-3-carboxylate;ethyl 6,8-dichloro-4-[2-(2-hydroxyethoxy)ethylamino]quinoline-3-carboxylate;ethyl 7,8-dichloro-4-[2-(thiophene-2-carbonyloxy)ethylamino]quinoline-3-carboxylate;ethyl 4-[3-(dimethylamino)propylamino]-6,8-dimethylquinoline-3-carboxylate;ethyl 6-methyl-4-(3-morpholin-4-ylpropylamino)quinoline-3-carboxylate;ethyl 8-methyl-4-(3-morpholin-4-ylpropylamino)quinoline-3-carboxylate?
The canonical SMILES for ethyl 7-chloro-4-[2-(dimethylamino)ethylamino]-8-methylquinoline-3-carboxylate;ethyl 6,8-dichloro-4-[2-(2-hydroxyethoxy)ethylamino]quinoline-3-carboxylate;ethyl 7,8-dichloro-4-[2-(thiophene-2-carbonyloxy)ethylamino]quinoline-3-carboxylate;ethyl 4-[3-(dimethylamino)propylamino]-6,8-dimethylquinoline-3-carboxylate;ethyl 6-methyl-4-(3-morpholin-4-ylpropylamino)quinoline-3-carboxylate;ethyl 8-methyl-4-(3-morpholin-4-ylpropylamino)quinoline-3-carboxylate is CCOC(=O)c1cnc2c(C)c(Cl)ccc2c1NCCN(C)C.CCOC(=O)c1cnc2c(C)cc(C)cc2c1NCCCN(C)C.CCOC(=O)c1cnc2c(C)cccc2c1NCCCN1CCOCC1.CCOC(=O)c1cnc2c(Cl)c(Cl)ccc2c1NCCOC(=O)c1cccs1.CCOC(=O)c1cnc2c(Cl)cc(Cl)cc2c1NCCOCCO.CCOC(=O)c1cnc2ccc(C)cc2c1NCCCN1CCOCC1.
What is the InChIKey of ethyl 7-chloro-4-[2-(dimethylamino)ethylamino]-8-methylquinoline-3-carboxylate;ethyl 6,8-dichloro-4-[2-(2-hydroxyethoxy)ethylamino]quinoline-3-carboxylate;ethyl 7,8-dichloro-4-[2-(thiophene-2-carbonyloxy)ethylamino]quinoline-3-carboxylate;ethyl 4-[3-(dimethylamino)propylamino]-6,8-dimethylquinoline-3-carboxylate;ethyl 6-methyl-4-(3-morpholin-4-ylpropylamino)quinoline-3-carboxylate;ethyl 8-methyl-4-(3-morpholin-4-ylpropylamino)quinoline-3-carboxylate?
The InChIKey is SJDLUUXAEMVWJT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H27N3O3.C19H16Cl2N2O4S.C19H27N3O2.C17H22ClN3O2.C16H18Cl2N2O4/c1-3-26-20(24)17-14-22-18-6-5-15(2)13-16(18)19(17)21-7-4-8-23-9-11-25-12-10-23;1-3-26-20(24)17-14-22-18-15(2)6-4-7-16(18)19(17)21-8-5-9-23-10-12-25-13-11-23;1-2-26-18(24)12-10-23-17-11(5-6-13(20)15(17)21)16(12)22-7-8-27-19(25)14-4-3-9-28-14;1-6-24-19(23)16-12-21-17-14(3)10-13(2)11-15(17)18(16)20-8-7-9-22(4)5;1-5-23-17(22)13-10-20-15-11(2)14(18)7-6-12(15)16(13)19-8-9-21(3)4;1-2-24-16(22)12-9-20-15-11(7-10(17)8-13(15)18)14(12)19-3-5-23-6-4-21/h5-6,13-14H,3-4,7-12H2,1-2H3,(H,21,22);4,6-7,14H,3,5,8-13H2,1-2H3,(H,21,22);3-6,9-10H,2,7-8H2,1H3,(H,22,23);10-12H,6-9H2,1-5H3,(H,20,21);6-7,10H,5,8-9H2,1-4H3,(H,19,20);7-9,21H,2-6H2,1H3,(H,19,20).
What are the key properties of ethyl 7-chloro-4-[2-(dimethylamino)ethylamino]-8-methylquinoline-3-carboxylate;ethyl 6,8-dichloro-4-[2-(2-hydroxyethoxy)ethylamino]quinoline-3-carboxylate;ethyl 7,8-dichloro-4-[2-(thiophene-2-carbonyloxy)ethylamino]quinoline-3-carboxylate;ethyl 4-[3-(dimethylamino)propylamino]-6,8-dimethylquinoline-3-carboxylate;ethyl 6-methyl-4-(3-morpholin-4-ylpropylamino)quinoline-3-carboxylate;ethyl 8-methyl-4-(3-morpholin-4-ylpropylamino)quinoline-3-carboxylate?
ethyl 7-chloro-4-[2-(dimethylamino)ethylamino]-8-methylquinoline-3-carboxylate;ethyl 6,8-dichloro-4-[2-(2-hydroxyethoxy)ethylamino]quinoline-3-carboxylate;ethyl 7,8-dichloro-4-[2-(thiophene-2-carbonyloxy)ethylamino]quinoline-3-carboxylate;ethyl 4-[3-(dimethylamino)propylamino]-6,8-dimethylquinoline-3-carboxylate;ethyl 6-methyl-4-(3-morpholin-4-ylpropylamino)quinoline-3-carboxylate;ethyl 8-methyl-4-(3-morpholin-4-ylpropylamino)quinoline-3-carboxylate has a molecular weight of 2192.74 g/mol, XLogP of 20.63, 42 rotatable bonds, 7 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-chloro-4-[2-(dimethylamino)ethylamino]-8-methylquinoline-3-carboxylate;ethyl 6,8-dichloro-4-[2-(2-hydroxyethoxy)ethylamino]quinoline-3-carboxylate;ethyl 7,8-dichloro-4-[2-(thiophene-2-carbonyloxy)ethylamino]quinoline-3-carboxylate;ethyl 4-[3-(dimethylamino)propylamino]-6,8-dimethylquinoline-3-carboxylate;ethyl 6-methyl-4-(3-morpholin-4-ylpropylamino)quinoline-3-carboxylate;ethyl 8-methyl-4-(3-morpholin-4-ylpropylamino)quinoline-3-carboxylate is sourced from PubChem (CID 160850084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).