ethyl 6,8-dichloro-4-[3-(dimethylamino)propylamino]quinoline-3-carboxylate;ethyl 4-[3-(dimethylamino)propylamino]-6,7-dimethylquinoline-3-carboxylate;ethyl 4-[3-(dimethylamino)propylamino]-6-methylquinoline-3-carboxylate;ethyl 4-[3-(dimethylamino)propylamino]-8-methylquinoline-3-carboxylate;ethyl 4-[3-(dimethylamino)propylamino]quinoline-3-carboxylate

C89H121Cl2N15O10 — CID 160868698

IUPACethyl 6,8-dichloro-4-[3-(dimethylamino)propylamino]quinoline-3-carboxylate;ethyl 4-[3-(dimethylamino)propylamino]-6,7-dimethylquinoline-3-carboxylate;ethyl 4-[3-(dimethylamino)propylamino]-6-methylquinoline-3-carboxylate;ethyl 4-[3-(dimethylamino)propylamino]-8-methylquinoline-3-carboxylate;ethyl 4-[3-(dimethylamino)propylamino]quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(C)cccc2c1NCCCN(C)C.CCOC(=O)c1cnc2c(Cl)cc(Cl)cc2c1NCCCN(C)C.CCOC(=O)c1cnc2cc(C)c(C)cc2c1NCCCN(C)C.CCOC(=O)c1cnc2ccc(C)cc2c1NCCCN(C)C.CCOC(=O)c1cnc2ccccc2c1NCCCN(C)C
InChIInChI=1S/C19H27N3O2.2C18H25N3O2.C17H21Cl2N3O2.C17H23N3O2/c1-6-24-19(23)16-12-21-17-11-14(3)13(2)10-15(17)18(16)20-8-7-9-22(4)5;1-5-23-18(22)15-12-20-16-8-7-13(2)11-14(16)17(15)19-9-6-10-21(3)4;1-5-23-18(22)15-12-20-16-13(2)8-6-9-14(16)17(15)19-10-7-11-21(3)4;1-4-24-17(23)13-10-21-16-12(8-11(18)9-14(16)19)15(13)20-6-5-7-22(2)3;1-4-22-17(21)14-12-19-15-9-6-5-8-13(15)16(14)18-10-7-11-20(2)3/h10-12H,6-9H2,1-5H3,(H,20,21);7-8,11-12H,5-6,9-10H2,1-4H3,(H,19,20);6,8-9,12H,5,7,10-11H2,1-4H3,(H,19,20);8-10H,4-7H2,1-3H3,(H,20,21);5-6,8-9,12H,4,7,10-11H2,1-3H3,(H,18,19)
InChIKeySLLZCYBTZYKKQV-UHFFFAOYSA-N
MW1631.95 g/mol
LogP16.42
Rot. Bonds35

About ethyl 6,8-dichloro-4-[3-(dimethylamino)propylamino]quinoline-3-carboxylate;ethyl 4-[3-(dimethylamino)propylamino]-6,7-dimethylquinoline-3-carboxylate;ethyl 4-[3-(dimethylamino)propylamino]-6-methylquinoline-3-carboxylate;ethyl 4-[3-(dimethylamino)propylamino]-8-methylquinoline-3-carboxylate;ethyl 4-[3-(dimethylamino)propylamino]quinoline-3-carboxylate

ethyl 6,8-dichloro-4-[3-(dimethylamino)propylamino]quinoline-3-carboxylate;ethyl 4-[3-(dimethylamino)propylamino]-6,7-dimethylquinoline-3-carboxylate;ethyl 4-[3-(dimethylamino)propylamino]-6-methylquinoline-3-carboxylate;ethyl 4-[3-(dimethylamino)propylamino]-8-methylquinoline-3-carboxylate;ethyl 4-[3-(dimethylamino)propylamino]quinoline-3-carboxylate (PubChem CID 160868698) has the molecular formula C89H121Cl2N15O10 and a molecular weight of 1631.95 g/mol. Its IUPAC name is ethyl 6,8-dichloro-4-[3-(dimethylamino)propylamino]quinoline-3-carboxylate;ethyl 4-[3-(dimethylamino)propylamino]-6,7-dimethylquinoline-3-carboxylate;ethyl 4-[3-(dimethylamino)propylamino]-6-methylquinoline-3-carboxylate;ethyl 4-[3-(dimethylamino)propylamino]-8-methylquinoline-3-carboxylate;ethyl 4-[3-(dimethylamino)propylamino]quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 6,8-dichloro-4-[3-(dimethylamino)propylamino]quinoline-3-carboxylate;ethyl 4-[3-(dimethylamino)propylamino]-6,7-dimethylquinoline-3-carboxylate;ethyl 4-[3-(dimethylamino)propylamino]-6-methylquinoline-3-carboxylate;ethyl 4-[3-(dimethylamino)propylamino]-8-methylquinoline-3-carboxylate;ethyl 4-[3-(dimethylamino)propylamino]quinoline-3-carboxylate
PubChem CID160868698
Molecular FormulaC89H121Cl2N15O10
Molecular Weight1631.95 g/mol
Exact Mass1629.88
IUPAC Nameethyl 6,8-dichloro-4-[3-(dimethylamino)propylamino]quinoline-3-carboxylate;ethyl 4-[3-(dimethylamino)propylamino]-6,7-dimethylquinoline-3-carboxylate;ethyl 4-[3-(dimethylamino)propylamino]-6-methylquinoline-3-carboxylate;ethyl 4-[3-(dimethylamino)propylamino]-8-methylquinoline-3-carboxylate;ethyl 4-[3-(dimethylamino)propylamino]quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(C)cccc2c1NCCCN(C)C.CCOC(=O)c1cnc2c(Cl)cc(Cl)cc2c1NCCCN(C)C.CCOC(=O)c1cnc2cc(C)c(C)cc2c1NCCCN(C)C.CCOC(=O)c1cnc2ccc(C)cc2c1NCCCN(C)C.CCOC(=O)c1cnc2ccccc2c1NCCCN(C)C
InChIInChI=1S/C19H27N3O2.2C18H25N3O2.C17H21Cl2N3O2.C17H23N3O2/c1-6-24-19(23)16-12-21-17-11-14(3)13(2)10-15(17)18(16)20-8-7-9-22(4)5;1-5-23-18(22)15-12-20-16-8-7-13(2)11-14(16)17(15)19-9-6-10-21(3)4;1-5-23-18(22)15-12-20-16-13(2)8-6-9-14(16)17(15)19-10-7-11-21(3)4;1-4-24-17(23)13-10-21-16-12(8-11(18)9-14(16)19)15(13)20-6-5-7-22(2)3;1-4-22-17(21)14-12-19-15-9-6-5-8-13(15)16(14)18-10-7-11-20(2)3/h10-12H,6-9H2,1-5H3,(H,20,21);7-8,11-12H,5-6,9-10H2,1-4H3,(H,19,20);6,8-9,12H,5,7,10-11H2,1-4H3,(H,19,20);8-10H,4-7H2,1-3H3,(H,20,21);5-6,8-9,12H,4,7,10-11H2,1-3H3,(H,18,19)
InChIKeySLLZCYBTZYKKQV-UHFFFAOYSA-N
XLogP16.42
TPSA272.30 Ų
H-Bond Donors5
H-Bond Acceptors25
Rotatable Bonds35
Heavy Atoms116
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001631.95
LogP ≤ 516.42
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 6,8-dichloro-4-[3-(dimethylamino)propylamino]quinoline-3-carboxylate;ethyl 4-[3-(dimethylamino)propylamino]-6,7-dimethylquinoline-3-carboxylate;ethyl 4-[3-(dimethylamino)propylamino]-6-methylquinoline-3-carboxylate;ethyl 4-[3-(dimethylamino)propylamino]-8-methylquinoline-3-carboxylate;ethyl 4-[3-(dimethylamino)propylamino]quinoline-3-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 6,8-dichloro-4-[3-(dimethylamino)propylamino]quinoline-3-carboxylate;ethyl 4-[3-(dimethylamino)propylamino]-6,7-dimethylquinoline-3-carboxylate;ethyl 4-[3-(dimethylamino)propylamino]-6-methylquinoline-3-carboxylate;ethyl 4-[3-(dimethylamino)propylamino]-8-methylquinoline-3-carboxylate;ethyl 4-[3-(dimethylamino)propylamino]quinoline-3-carboxylate?
The IUPAC name of ethyl 6,8-dichloro-4-[3-(dimethylamino)propylamino]quinoline-3-carboxylate;ethyl 4-[3-(dimethylamino)propylamino]-6,7-dimethylquinoline-3-carboxylate;ethyl 4-[3-(dimethylamino)propylamino]-6-methylquinoline-3-carboxylate;ethyl 4-[3-(dimethylamino)propylamino]-8-methylquinoline-3-carboxylate;ethyl 4-[3-(dimethylamino)propylamino]quinoline-3-carboxylate (CID 160868698) is ethyl 6,8-dichloro-4-[3-(dimethylamino)propylamino]quinoline-3-carboxylate;ethyl 4-[3-(dimethylamino)propylamino]-6,7-dimethylquinoline-3-carboxylate;ethyl 4-[3-(dimethylamino)propylamino]-6-methylquinoline-3-carboxylate;ethyl 4-[3-(dimethylamino)propylamino]-8-methylquinoline-3-carboxylate;ethyl 4-[3-(dimethylamino)propylamino]quinoline-3-carboxylate.
What is the SMILES notation for ethyl 6,8-dichloro-4-[3-(dimethylamino)propylamino]quinoline-3-carboxylate;ethyl 4-[3-(dimethylamino)propylamino]-6,7-dimethylquinoline-3-carboxylate;ethyl 4-[3-(dimethylamino)propylamino]-6-methylquinoline-3-carboxylate;ethyl 4-[3-(dimethylamino)propylamino]-8-methylquinoline-3-carboxylate;ethyl 4-[3-(dimethylamino)propylamino]quinoline-3-carboxylate?
The canonical SMILES for ethyl 6,8-dichloro-4-[3-(dimethylamino)propylamino]quinoline-3-carboxylate;ethyl 4-[3-(dimethylamino)propylamino]-6,7-dimethylquinoline-3-carboxylate;ethyl 4-[3-(dimethylamino)propylamino]-6-methylquinoline-3-carboxylate;ethyl 4-[3-(dimethylamino)propylamino]-8-methylquinoline-3-carboxylate;ethyl 4-[3-(dimethylamino)propylamino]quinoline-3-carboxylate is CCOC(=O)c1cnc2c(C)cccc2c1NCCCN(C)C.CCOC(=O)c1cnc2c(Cl)cc(Cl)cc2c1NCCCN(C)C.CCOC(=O)c1cnc2cc(C)c(C)cc2c1NCCCN(C)C.CCOC(=O)c1cnc2ccc(C)cc2c1NCCCN(C)C.CCOC(=O)c1cnc2ccccc2c1NCCCN(C)C.
What is the InChIKey of ethyl 6,8-dichloro-4-[3-(dimethylamino)propylamino]quinoline-3-carboxylate;ethyl 4-[3-(dimethylamino)propylamino]-6,7-dimethylquinoline-3-carboxylate;ethyl 4-[3-(dimethylamino)propylamino]-6-methylquinoline-3-carboxylate;ethyl 4-[3-(dimethylamino)propylamino]-8-methylquinoline-3-carboxylate;ethyl 4-[3-(dimethylamino)propylamino]quinoline-3-carboxylate?
The InChIKey is SLLZCYBTZYKKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2.2C18H25N3O2.C17H21Cl2N3O2.C17H23N3O2/c1-6-24-19(23)16-12-21-17-11-14(3)13(2)10-15(17)18(16)20-8-7-9-22(4)5;1-5-23-18(22)15-12-20-16-8-7-13(2)11-14(16)17(15)19-9-6-10-21(3)4;1-5-23-18(22)15-12-20-16-13(2)8-6-9-14(16)17(15)19-10-7-11-21(3)4;1-4-24-17(23)13-10-21-16-12(8-11(18)9-14(16)19)15(13)20-6-5-7-22(2)3;1-4-22-17(21)14-12-19-15-9-6-5-8-13(15)16(14)18-10-7-11-20(2)3/h10-12H,6-9H2,1-5H3,(H,20,21);7-8,11-12H,5-6,9-10H2,1-4H3,(H,19,20);6,8-9,12H,5,7,10-11H2,1-4H3,(H,19,20);8-10H,4-7H2,1-3H3,(H,20,21);5-6,8-9,12H,4,7,10-11H2,1-3H3,(H,18,19).
What are the key properties of ethyl 6,8-dichloro-4-[3-(dimethylamino)propylamino]quinoline-3-carboxylate;ethyl 4-[3-(dimethylamino)propylamino]-6,7-dimethylquinoline-3-carboxylate;ethyl 4-[3-(dimethylamino)propylamino]-6-methylquinoline-3-carboxylate;ethyl 4-[3-(dimethylamino)propylamino]-8-methylquinoline-3-carboxylate;ethyl 4-[3-(dimethylamino)propylamino]quinoline-3-carboxylate?
ethyl 6,8-dichloro-4-[3-(dimethylamino)propylamino]quinoline-3-carboxylate;ethyl 4-[3-(dimethylamino)propylamino]-6,7-dimethylquinoline-3-carboxylate;ethyl 4-[3-(dimethylamino)propylamino]-6-methylquinoline-3-carboxylate;ethyl 4-[3-(dimethylamino)propylamino]-8-methylquinoline-3-carboxylate;ethyl 4-[3-(dimethylamino)propylamino]quinoline-3-carboxylate has a molecular weight of 1631.95 g/mol, XLogP of 16.42, 35 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6,8-dichloro-4-[3-(dimethylamino)propylamino]quinoline-3-carboxylate;ethyl 4-[3-(dimethylamino)propylamino]-6,7-dimethylquinoline-3-carboxylate;ethyl 4-[3-(dimethylamino)propylamino]-6-methylquinoline-3-carboxylate;ethyl 4-[3-(dimethylamino)propylamino]-8-methylquinoline-3-carboxylate;ethyl 4-[3-(dimethylamino)propylamino]quinoline-3-carboxylate is sourced from PubChem (CID 160868698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).