6-(3-aminopropoxy)-4-(2-ethylanilino)-7-methoxyquinoline-3-carboxamide;6-[2-(dimethylamino)ethoxy]-4-(2-ethylanilino)-7-methoxyquinoline-3-carboxamide;6-[3-(dimethylamino)propoxy]-4-(2-ethylanilino)-7-methoxyquinoline-3-carboxamide;4-(2-ethylanilino)-6-(3-imidazol-1-ylpropoxy)-7-methoxyquinoline-3-carboxamide;4-(2-ethylanilino)-7-methoxy-6-(thiophen-3-ylmethoxy)quinoline-3-carboxamide

C118H134N20O15S — CID 173219670

IUPAC6-(3-aminopropoxy)-4-(2-ethylanilino)-7-methoxyquinoline-3-carboxamide;6-[2-(dimethylamino)ethoxy]-4-(2-ethylanilino)-7-methoxyquinoline-3-carboxamide;6-[3-(dimethylamino)propoxy]-4-(2-ethylanilino)-7-methoxyquinoline-3-carboxamide;4-(2-ethylanilino)-6-(3-imidazol-1-ylpropoxy)-7-methoxyquinoline-3-carboxamide;4-(2-ethylanilino)-7-methoxy-6-(thiophen-3-ylmethoxy)quinoline-3-carboxamide
SMILESCCc1ccccc1Nc1c(C(N)=O)cnc2cc(OC)c(OCCCN(C)C)cc12.CCc1ccccc1Nc1c(C(N)=O)cnc2cc(OC)c(OCCCN)cc12.CCc1ccccc1Nc1c(C(N)=O)cnc2cc(OC)c(OCCCn3ccnc3)cc12.CCc1ccccc1Nc1c(C(N)=O)cnc2cc(OC)c(OCCN(C)C)cc12.CCc1ccccc1Nc1c(C(N)=O)cnc2cc(OC)c(OCc3ccsc3)cc12
InChIInChI=1S/C25H27N5O3.C24H30N4O3.C24H23N3O3S.C23H28N4O3.C22H26N4O3/c1-3-17-7-4-5-8-20(17)29-24-18-13-23(33-12-6-10-30-11-9-27-16-30)22(32-2)14-21(18)28-15-19(24)25(26)31;1-5-16-9-6-7-10-19(16)27-23-17-13-22(31-12-8-11-28(2)3)21(30-4)14-20(17)26-15-18(23)24(25)29;1-3-16-6-4-5-7-19(16)27-23-17-10-22(30-13-15-8-9-31-14-15)21(29-2)11-20(17)26-12-18(23)24(25)28;1-5-15-8-6-7-9-18(15)26-22-16-12-21(30-11-10-27(2)3)20(29-4)13-19(16)25-14-17(22)23(24)28;1-3-14-7-4-5-8-17(14)26-21-15-11-20(29-10-6-9-23)19(28-2)12-18(15)25-13-16(21)22(24)27/h4-5,7-9,11,13-16H,3,6,10,12H2,1-2H3,(H2,26,31)(H,28,29);6-7,9-10,13-15H,5,8,11-12H2,1-4H3,(H2,25,29)(H,26,27);4-12,14H,3,13H2,1-2H3,(H2,25,28)(H,26,27);6-9,12-14H,5,10-11H2,1-4H3,(H2,24,28)(H,25,26);4-5,7-8,11-13H,3,6,9-10,23H2,1-2H3,(H2,24,27)(H,25,26)
InChIKeyZIPMZFRNEGMPSG-UHFFFAOYSA-N
MW2104.56 g/mol
LogP20.55
Rot. Bonds46

About 6-(3-aminopropoxy)-4-(2-ethylanilino)-7-methoxyquinoline-3-carboxamide;6-[2-(dimethylamino)ethoxy]-4-(2-ethylanilino)-7-methoxyquinoline-3-carboxamide;6-[3-(dimethylamino)propoxy]-4-(2-ethylanilino)-7-methoxyquinoline-3-carboxamide;4-(2-ethylanilino)-6-(3-imidazol-1-ylpropoxy)-7-methoxyquinoline-3-carboxamide;4-(2-ethylanilino)-7-methoxy-6-(thiophen-3-ylmethoxy)quinoline-3-carboxamide

6-(3-aminopropoxy)-4-(2-ethylanilino)-7-methoxyquinoline-3-carboxamide;6-[2-(dimethylamino)ethoxy]-4-(2-ethylanilino)-7-methoxyquinoline-3-carboxamide;6-[3-(dimethylamino)propoxy]-4-(2-ethylanilino)-7-methoxyquinoline-3-carboxamide;4-(2-ethylanilino)-6-(3-imidazol-1-ylpropoxy)-7-methoxyquinoline-3-carboxamide;4-(2-ethylanilino)-7-methoxy-6-(thiophen-3-ylmethoxy)quinoline-3-carboxamide (PubChem CID 173219670) has the molecular formula C118H134N20O15S and a molecular weight of 2104.56 g/mol. Its IUPAC name is 6-(3-aminopropoxy)-4-(2-ethylanilino)-7-methoxyquinoline-3-carboxamide;6-[2-(dimethylamino)ethoxy]-4-(2-ethylanilino)-7-methoxyquinoline-3-carboxamide;6-[3-(dimethylamino)propoxy]-4-(2-ethylanilino)-7-methoxyquinoline-3-carboxamide;4-(2-ethylanilino)-6-(3-imidazol-1-ylpropoxy)-7-methoxyquinoline-3-carboxamide;4-(2-ethylanilino)-7-methoxy-6-(thiophen-3-ylmethoxy)quinoline-3-carboxamide.

Molecular Properties

Compound Name6-(3-aminopropoxy)-4-(2-ethylanilino)-7-methoxyquinoline-3-carboxamide;6-[2-(dimethylamino)ethoxy]-4-(2-ethylanilino)-7-methoxyquinoline-3-carboxamide;6-[3-(dimethylamino)propoxy]-4-(2-ethylanilino)-7-methoxyquinoline-3-carboxamide;4-(2-ethylanilino)-6-(3-imidazol-1-ylpropoxy)-7-methoxyquinoline-3-carboxamide;4-(2-ethylanilino)-7-methoxy-6-(thiophen-3-ylmethoxy)quinoline-3-carboxamide
PubChem CID173219670
Molecular FormulaC118H134N20O15S
Molecular Weight2104.56 g/mol
Exact Mass2103.01
IUPAC Name6-(3-aminopropoxy)-4-(2-ethylanilino)-7-methoxyquinoline-3-carboxamide;6-[2-(dimethylamino)ethoxy]-4-(2-ethylanilino)-7-methoxyquinoline-3-carboxamide;6-[3-(dimethylamino)propoxy]-4-(2-ethylanilino)-7-methoxyquinoline-3-carboxamide;4-(2-ethylanilino)-6-(3-imidazol-1-ylpropoxy)-7-methoxyquinoline-3-carboxamide;4-(2-ethylanilino)-7-methoxy-6-(thiophen-3-ylmethoxy)quinoline-3-carboxamide
SMILESCCc1ccccc1Nc1c(C(N)=O)cnc2cc(OC)c(OCCCN(C)C)cc12.CCc1ccccc1Nc1c(C(N)=O)cnc2cc(OC)c(OCCCN)cc12.CCc1ccccc1Nc1c(C(N)=O)cnc2cc(OC)c(OCCCn3ccnc3)cc12.CCc1ccccc1Nc1c(C(N)=O)cnc2cc(OC)c(OCCN(C)C)cc12.CCc1ccccc1Nc1c(C(N)=O)cnc2cc(OC)c(OCc3ccsc3)cc12
InChIInChI=1S/C25H27N5O3.C24H30N4O3.C24H23N3O3S.C23H28N4O3.C22H26N4O3/c1-3-17-7-4-5-8-20(17)29-24-18-13-23(33-12-6-10-30-11-9-27-16-30)22(32-2)14-21(18)28-15-19(24)25(26)31;1-5-16-9-6-7-10-19(16)27-23-17-13-22(31-12-8-11-28(2)3)21(30-4)14-20(17)26-15-18(23)24(25)29;1-3-16-6-4-5-7-19(16)27-23-17-10-22(30-13-15-8-9-31-14-15)21(29-2)11-20(17)26-12-18(23)24(25)28;1-5-15-8-6-7-9-18(15)26-22-16-12-21(30-11-10-27(2)3)20(29-4)13-19(16)25-14-17(22)23(24)28;1-3-14-7-4-5-8-17(14)26-21-15-11-20(29-10-6-9-23)19(28-2)12-18(15)25-13-16(21)22(24)27/h4-5,7-9,11,13-16H,3,6,10,12H2,1-2H3,(H2,26,31)(H,28,29);6-7,9-10,13-15H,5,8,11-12H2,1-4H3,(H2,25,29)(H,26,27);4-12,14H,3,13H2,1-2H3,(H2,25,28)(H,26,27);6-9,12-14H,5,10-11H2,1-4H3,(H2,24,28)(H,25,26);4-5,7-8,11-13H,3,6,9-10,23H2,1-2H3,(H2,24,27)(H,25,26)
InChIKeyZIPMZFRNEGMPSG-UHFFFAOYSA-N
XLogP20.55
TPSA482.67 Ų
H-Bond Donors11
H-Bond Acceptors31
Rotatable Bonds46
Heavy Atoms154
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002104.56
LogP ≤ 520.55
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

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

Analyze 6-(3-aminopropoxy)-4-(2-ethylanilino)-7-methoxyquinoline-3-carboxamide;6-[2-(dimethylamino)ethoxy]-4-(2-ethylanilino)-7-methoxyquinoline-3-carboxamide;6-[3-(dimethylamino)propoxy]-4-(2-ethylanilino)-7-methoxyquinoline-3-carboxamide;4-(2-ethylanilino)-6-(3-imidazol-1-ylpropoxy)-7-methoxyquinoline-3-carboxamide;4-(2-ethylanilino)-7-methoxy-6-(thiophen-3-ylmethoxy)quinoline-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(3-aminopropoxy)-4-(2-ethylanilino)-7-methoxyquinoline-3-carboxamide;6-[2-(dimethylamino)ethoxy]-4-(2-ethylanilino)-7-methoxyquinoline-3-carboxamide;6-[3-(dimethylamino)propoxy]-4-(2-ethylanilino)-7-methoxyquinoline-3-carboxamide;4-(2-ethylanilino)-6-(3-imidazol-1-ylpropoxy)-7-methoxyquinoline-3-carboxamide;4-(2-ethylanilino)-7-methoxy-6-(thiophen-3-ylmethoxy)quinoline-3-carboxamide?
The IUPAC name of 6-(3-aminopropoxy)-4-(2-ethylanilino)-7-methoxyquinoline-3-carboxamide;6-[2-(dimethylamino)ethoxy]-4-(2-ethylanilino)-7-methoxyquinoline-3-carboxamide;6-[3-(dimethylamino)propoxy]-4-(2-ethylanilino)-7-methoxyquinoline-3-carboxamide;4-(2-ethylanilino)-6-(3-imidazol-1-ylpropoxy)-7-methoxyquinoline-3-carboxamide;4-(2-ethylanilino)-7-methoxy-6-(thiophen-3-ylmethoxy)quinoline-3-carboxamide (CID 173219670) is 6-(3-aminopropoxy)-4-(2-ethylanilino)-7-methoxyquinoline-3-carboxamide;6-[2-(dimethylamino)ethoxy]-4-(2-ethylanilino)-7-methoxyquinoline-3-carboxamide;6-[3-(dimethylamino)propoxy]-4-(2-ethylanilino)-7-methoxyquinoline-3-carboxamide;4-(2-ethylanilino)-6-(3-imidazol-1-ylpropoxy)-7-methoxyquinoline-3-carboxamide;4-(2-ethylanilino)-7-methoxy-6-(thiophen-3-ylmethoxy)quinoline-3-carboxamide.
What is the SMILES notation for 6-(3-aminopropoxy)-4-(2-ethylanilino)-7-methoxyquinoline-3-carboxamide;6-[2-(dimethylamino)ethoxy]-4-(2-ethylanilino)-7-methoxyquinoline-3-carboxamide;6-[3-(dimethylamino)propoxy]-4-(2-ethylanilino)-7-methoxyquinoline-3-carboxamide;4-(2-ethylanilino)-6-(3-imidazol-1-ylpropoxy)-7-methoxyquinoline-3-carboxamide;4-(2-ethylanilino)-7-methoxy-6-(thiophen-3-ylmethoxy)quinoline-3-carboxamide?
The canonical SMILES for 6-(3-aminopropoxy)-4-(2-ethylanilino)-7-methoxyquinoline-3-carboxamide;6-[2-(dimethylamino)ethoxy]-4-(2-ethylanilino)-7-methoxyquinoline-3-carboxamide;6-[3-(dimethylamino)propoxy]-4-(2-ethylanilino)-7-methoxyquinoline-3-carboxamide;4-(2-ethylanilino)-6-(3-imidazol-1-ylpropoxy)-7-methoxyquinoline-3-carboxamide;4-(2-ethylanilino)-7-methoxy-6-(thiophen-3-ylmethoxy)quinoline-3-carboxamide is CCc1ccccc1Nc1c(C(N)=O)cnc2cc(OC)c(OCCCN(C)C)cc12.CCc1ccccc1Nc1c(C(N)=O)cnc2cc(OC)c(OCCCN)cc12.CCc1ccccc1Nc1c(C(N)=O)cnc2cc(OC)c(OCCCn3ccnc3)cc12.CCc1ccccc1Nc1c(C(N)=O)cnc2cc(OC)c(OCCN(C)C)cc12.CCc1ccccc1Nc1c(C(N)=O)cnc2cc(OC)c(OCc3ccsc3)cc12.
What is the InChIKey of 6-(3-aminopropoxy)-4-(2-ethylanilino)-7-methoxyquinoline-3-carboxamide;6-[2-(dimethylamino)ethoxy]-4-(2-ethylanilino)-7-methoxyquinoline-3-carboxamide;6-[3-(dimethylamino)propoxy]-4-(2-ethylanilino)-7-methoxyquinoline-3-carboxamide;4-(2-ethylanilino)-6-(3-imidazol-1-ylpropoxy)-7-methoxyquinoline-3-carboxamide;4-(2-ethylanilino)-7-methoxy-6-(thiophen-3-ylmethoxy)quinoline-3-carboxamide?
The InChIKey is ZIPMZFRNEGMPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O3.C24H30N4O3.C24H23N3O3S.C23H28N4O3.C22H26N4O3/c1-3-17-7-4-5-8-20(17)29-24-18-13-23(33-12-6-10-30-11-9-27-16-30)22(32-2)14-21(18)28-15-19(24)25(26)31;1-5-16-9-6-7-10-19(16)27-23-17-13-22(31-12-8-11-28(2)3)21(30-4)14-20(17)26-15-18(23)24(25)29;1-3-16-6-4-5-7-19(16)27-23-17-10-22(30-13-15-8-9-31-14-15)21(29-2)11-20(17)26-12-18(23)24(25)28;1-5-15-8-6-7-9-18(15)26-22-16-12-21(30-11-10-27(2)3)20(29-4)13-19(16)25-14-17(22)23(24)28;1-3-14-7-4-5-8-17(14)26-21-15-11-20(29-10-6-9-23)19(28-2)12-18(15)25-13-16(21)22(24)27/h4-5,7-9,11,13-16H,3,6,10,12H2,1-2H3,(H2,26,31)(H,28,29);6-7,9-10,13-15H,5,8,11-12H2,1-4H3,(H2,25,29)(H,26,27);4-12,14H,3,13H2,1-2H3,(H2,25,28)(H,26,27);6-9,12-14H,5,10-11H2,1-4H3,(H2,24,28)(H,25,26);4-5,7-8,11-13H,3,6,9-10,23H2,1-2H3,(H2,24,27)(H,25,26).
What are the key properties of 6-(3-aminopropoxy)-4-(2-ethylanilino)-7-methoxyquinoline-3-carboxamide;6-[2-(dimethylamino)ethoxy]-4-(2-ethylanilino)-7-methoxyquinoline-3-carboxamide;6-[3-(dimethylamino)propoxy]-4-(2-ethylanilino)-7-methoxyquinoline-3-carboxamide;4-(2-ethylanilino)-6-(3-imidazol-1-ylpropoxy)-7-methoxyquinoline-3-carboxamide;4-(2-ethylanilino)-7-methoxy-6-(thiophen-3-ylmethoxy)quinoline-3-carboxamide?
6-(3-aminopropoxy)-4-(2-ethylanilino)-7-methoxyquinoline-3-carboxamide;6-[2-(dimethylamino)ethoxy]-4-(2-ethylanilino)-7-methoxyquinoline-3-carboxamide;6-[3-(dimethylamino)propoxy]-4-(2-ethylanilino)-7-methoxyquinoline-3-carboxamide;4-(2-ethylanilino)-6-(3-imidazol-1-ylpropoxy)-7-methoxyquinoline-3-carboxamide;4-(2-ethylanilino)-7-methoxy-6-(thiophen-3-ylmethoxy)quinoline-3-carboxamide has a molecular weight of 2104.56 g/mol, XLogP of 20.55, 46 rotatable bonds, 11 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminopropoxy)-4-(2-ethylanilino)-7-methoxyquinoline-3-carboxamide;6-[2-(dimethylamino)ethoxy]-4-(2-ethylanilino)-7-methoxyquinoline-3-carboxamide;6-[3-(dimethylamino)propoxy]-4-(2-ethylanilino)-7-methoxyquinoline-3-carboxamide;4-(2-ethylanilino)-6-(3-imidazol-1-ylpropoxy)-7-methoxyquinoline-3-carboxamide;4-(2-ethylanilino)-7-methoxy-6-(thiophen-3-ylmethoxy)quinoline-3-carboxamide is sourced from PubChem (CID 173219670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).