ethyl 6,8-dichloro-4-[2-(2-hydroxyethoxy)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

C75H99Cl2N11O12 — CID 157155344

IUPACethyl 6,8-dichloro-4-[2-(2-hydroxyethoxy)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)cc(C)cc2c1NCCCN(C)C.CCOC(=O)c1cnc2c(C)cccc2c1NCCCN1CCOCC1.CCOC(=O)c1cnc2c(Cl)cc(Cl)cc2c1NCCOCCO.CCOC(=O)c1cnc2ccc(C)cc2c1NCCCN1CCOCC1
InChIInChI=1S/2C20H27N3O3.C19H27N3O2.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;1-6-24-19(23)16-12-21-17-14(3)10-13(2)11-15(17)18(16)20-8-7-9-22(4)5;1-2-24-16(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);10-12H,6-9H2,1-5H3,(H,20,21);7-9,21H,2-6H2,1H3,(H,19,20)
InChIKeyALSXDNSNYLGZKD-UHFFFAOYSA-N
MW1417.59 g/mol
LogP12.24
Rot. Bonds29

About ethyl 6,8-dichloro-4-[2-(2-hydroxyethoxy)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 6,8-dichloro-4-[2-(2-hydroxyethoxy)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 157155344) has the molecular formula C75H99Cl2N11O12 and a molecular weight of 1417.59 g/mol. Its IUPAC name is ethyl 6,8-dichloro-4-[2-(2-hydroxyethoxy)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 6,8-dichloro-4-[2-(2-hydroxyethoxy)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 CID157155344
Molecular FormulaC75H99Cl2N11O12
Molecular Weight1417.59 g/mol
Exact Mass1415.69
IUPAC Nameethyl 6,8-dichloro-4-[2-(2-hydroxyethoxy)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)cc(C)cc2c1NCCCN(C)C.CCOC(=O)c1cnc2c(C)cccc2c1NCCCN1CCOCC1.CCOC(=O)c1cnc2c(Cl)cc(Cl)cc2c1NCCOCCO.CCOC(=O)c1cnc2ccc(C)cc2c1NCCCN1CCOCC1
InChIInChI=1S/2C20H27N3O3.C19H27N3O2.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;1-6-24-19(23)16-12-21-17-14(3)10-13(2)11-15(17)18(16)20-8-7-9-22(4)5;1-2-24-16(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);10-12H,6-9H2,1-5H3,(H,20,21);7-9,21H,2-6H2,1H3,(H,19,20)
InChIKeyALSXDNSNYLGZKD-UHFFFAOYSA-N
XLogP12.24
TPSA262.52 Ų
H-Bond Donors5
H-Bond Acceptors23
Rotatable Bonds29
Heavy Atoms100
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001417.59
LogP ≤ 512.24
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1023

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-[2-(2-hydroxyethoxy)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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Related Compounds

Ethyl 6,8-dichloro-4-{[2-(2-hydroxyethoxy)ethyl]amino}-3-quinolinecarboxylate
CID 1569301
Ethyl 6,8-dichloro-4-(3-morpholin-4-ylpropylamino)quinoline-3-carboxylate
CID 1569296
Ethyl 6-chloro-4-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)anilino]quinoline-3-carboxylate;ethyl 4-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)anilino]-6-quinolin-3-ylquinoline-3-carboxylate;methane;quinolin-3-ylboronic acid
CID 160826560
Ethyl 6-chloro-4-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)anilino]quinoline-3-carboxylate;ethyl 4-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)anilino]-6-quinolin-3-ylquinoline-3-carboxylate;quinolin-3-ylboronic acid
CID 161938330
Ethyl 6-chloro-8-methyl-4-{[4-(morpholin-4-yl)phenyl]amino}quinoline-3-carboxylate
CID 1186869
Ethyl 6-chloro-8-methyl-4-((4-morpholinophenyl)amino)quinoline-3-carboxylate hydrochloride
CID 2790543
(3-Butanoyl-4-chloroquinolin-6-yl)methyl benzoate;[3-butanoyl-4-(2-methylanilino)quinolin-6-yl]methyl benzoate
CID 70384206
Sodium;5-[(3-chloroquinolin-6-yl)methyl]pyridine-3-carboxylic acid;ethyl 5-[(3-chloroquinolin-6-yl)methyl]pyridine-3-carboxylate;hydroxide
CID 157206630
Ethyl 6-chloro-4-(4-methyl-3-nitroanilino)quinoline-3-carboxylate;ethyl 4,6-dichloroquinoline-3-carboxylate;4-methyl-3-nitroaniline
CID 157561112
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-(3-hydroxypropylamino)-6,8-dimethylquinoline-3-carboxylate;ethyl 4-(3-methoxypropylamino)-6,8-dimethylquinoline-3-carboxylate
CID 157586500
Benzyl 4-[3-(dimethylamino)propylamino]-6,8-dimethylquinoline-3-carboxylate;4-[3-(dimethylamino)propylamino]-6,8-dimethylquinoline-3-carboxylic acid;methyl 4-[3-(dimethylamino)propylamino]-6,8-dimethylquinoline-3-carboxylate;propan-2-yl 4-[3-(dimethylamino)propylamino]-6,8-dimethylquinoline-3-carboxylate
CID 157674870
Ethyl 6,8-dichloro-4-(3-piperidin-1-ylpropylamino)quinoline-3-carboxylate;ethyl 6,8-dichloro-4-(3-pyrrolidin-1-ylpropylamino)quinoline-3-carboxylate;ethyl 6,8-dimethyl-4-(3-morpholin-4-ylpropylamino)quinoline-3-carboxylate;ethyl 6,8-dimethyl-4-(3-piperidin-1-ylpropylamino)quinoline-3-carboxylate
CID 157945804

Frequently Asked Questions

What is the IUPAC name of ethyl 6,8-dichloro-4-[2-(2-hydroxyethoxy)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 6,8-dichloro-4-[2-(2-hydroxyethoxy)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 157155344) is ethyl 6,8-dichloro-4-[2-(2-hydroxyethoxy)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 6,8-dichloro-4-[2-(2-hydroxyethoxy)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 6,8-dichloro-4-[2-(2-hydroxyethoxy)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)cc(C)cc2c1NCCCN(C)C.CCOC(=O)c1cnc2c(C)cccc2c1NCCCN1CCOCC1.CCOC(=O)c1cnc2c(Cl)cc(Cl)cc2c1NCCOCCO.CCOC(=O)c1cnc2ccc(C)cc2c1NCCCN1CCOCC1.
What is the InChIKey of ethyl 6,8-dichloro-4-[2-(2-hydroxyethoxy)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 ALSXDNSNYLGZKD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H27N3O3.C19H27N3O2.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;1-6-24-19(23)16-12-21-17-14(3)10-13(2)11-15(17)18(16)20-8-7-9-22(4)5;1-2-24-16(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);10-12H,6-9H2,1-5H3,(H,20,21);7-9,21H,2-6H2,1H3,(H,19,20).
What are the key properties of ethyl 6,8-dichloro-4-[2-(2-hydroxyethoxy)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 6,8-dichloro-4-[2-(2-hydroxyethoxy)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 1417.59 g/mol, XLogP of 12.24, 29 rotatable bonds, 5 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6,8-dichloro-4-[2-(2-hydroxyethoxy)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 157155344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).