ethyl 4-[(4-chlorophenyl)methylamino]-6,8-dimethylquinoline-3-carboxylate;ethyl 6,8-dimethyl-4-(4-methylpiperidin-1-yl)quinoline-3-carboxylate;ethyl 4-(4,4-dimethylpiperidin-1-yl)-6,8-dimethylquinoline-3-carboxylate;ethyl 4-[4-(hydroxymethyl)piperidin-1-yl]-6,8-dimethylquinoline-3-carboxylate;ethyl 4-(4-hydroxypiperidin-1-yl)-6,8-dimethylquinoline-3-carboxylate

C101H125ClN10O12 — CID 159649410

IUPACethyl 4-[(4-chlorophenyl)methylamino]-6,8-dimethylquinoline-3-carboxylate;ethyl 6,8-dimethyl-4-(4-methylpiperidin-1-yl)quinoline-3-carboxylate;ethyl 4-(4,4-dimethylpiperidin-1-yl)-6,8-dimethylquinoline-3-carboxylate;ethyl 4-[4-(hydroxymethyl)piperidin-1-yl]-6,8-dimethylquinoline-3-carboxylate;ethyl 4-(4-hydroxypiperidin-1-yl)-6,8-dimethylquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(C)cc(C)cc2c1N1CCC(C)(C)CC1.CCOC(=O)c1cnc2c(C)cc(C)cc2c1N1CCC(C)CC1.CCOC(=O)c1cnc2c(C)cc(C)cc2c1N1CCC(CO)CC1.CCOC(=O)c1cnc2c(C)cc(C)cc2c1N1CCC(O)CC1.CCOC(=O)c1cnc2c(C)cc(C)cc2c1NCc1ccc(Cl)cc1
InChIInChI=1S/C21H21ClN2O2.C21H28N2O2.C20H26N2O3.C20H26N2O2.C19H24N2O3/c1-4-26-21(25)18-12-24-19-14(3)9-13(2)10-17(19)20(18)23-11-15-5-7-16(22)8-6-15;1-6-25-20(24)17-13-22-18-15(3)11-14(2)12-16(18)19(17)23-9-7-21(4,5)8-10-23;1-4-25-20(24)17-11-21-18-14(3)9-13(2)10-16(18)19(17)22-7-5-15(12-23)6-8-22;1-5-24-20(23)17-12-21-18-15(4)10-14(3)11-16(18)19(17)22-8-6-13(2)7-9-22;1-4-24-19(23)16-11-20-17-13(3)9-12(2)10-15(17)18(16)21-7-5-14(22)6-8-21/h5-10,12H,4,11H2,1-3H3,(H,23,24);11-13H,6-10H2,1-5H3;9-11,15,23H,4-8,12H2,1-3H3;10-13H,5-9H2,1-4H3;9-11,14,22H,4-8H2,1-3H3
InChIKeyMRJJSGBPTOJLKX-UHFFFAOYSA-N
MW1706.62 g/mol
LogP20.44
Rot. Bonds18

About ethyl 4-[(4-chlorophenyl)methylamino]-6,8-dimethylquinoline-3-carboxylate;ethyl 6,8-dimethyl-4-(4-methylpiperidin-1-yl)quinoline-3-carboxylate;ethyl 4-(4,4-dimethylpiperidin-1-yl)-6,8-dimethylquinoline-3-carboxylate;ethyl 4-[4-(hydroxymethyl)piperidin-1-yl]-6,8-dimethylquinoline-3-carboxylate;ethyl 4-(4-hydroxypiperidin-1-yl)-6,8-dimethylquinoline-3-carboxylate

ethyl 4-[(4-chlorophenyl)methylamino]-6,8-dimethylquinoline-3-carboxylate;ethyl 6,8-dimethyl-4-(4-methylpiperidin-1-yl)quinoline-3-carboxylate;ethyl 4-(4,4-dimethylpiperidin-1-yl)-6,8-dimethylquinoline-3-carboxylate;ethyl 4-[4-(hydroxymethyl)piperidin-1-yl]-6,8-dimethylquinoline-3-carboxylate;ethyl 4-(4-hydroxypiperidin-1-yl)-6,8-dimethylquinoline-3-carboxylate (PubChem CID 159649410) has the molecular formula C101H125ClN10O12 and a molecular weight of 1706.62 g/mol. Its IUPAC name is ethyl 4-[(4-chlorophenyl)methylamino]-6,8-dimethylquinoline-3-carboxylate;ethyl 6,8-dimethyl-4-(4-methylpiperidin-1-yl)quinoline-3-carboxylate;ethyl 4-(4,4-dimethylpiperidin-1-yl)-6,8-dimethylquinoline-3-carboxylate;ethyl 4-[4-(hydroxymethyl)piperidin-1-yl]-6,8-dimethylquinoline-3-carboxylate;ethyl 4-(4-hydroxypiperidin-1-yl)-6,8-dimethylquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(4-chlorophenyl)methylamino]-6,8-dimethylquinoline-3-carboxylate;ethyl 6,8-dimethyl-4-(4-methylpiperidin-1-yl)quinoline-3-carboxylate;ethyl 4-(4,4-dimethylpiperidin-1-yl)-6,8-dimethylquinoline-3-carboxylate;ethyl 4-[4-(hydroxymethyl)piperidin-1-yl]-6,8-dimethylquinoline-3-carboxylate;ethyl 4-(4-hydroxypiperidin-1-yl)-6,8-dimethylquinoline-3-carboxylate
PubChem CID159649410
Molecular FormulaC101H125ClN10O12
Molecular Weight1706.62 g/mol
Exact Mass1704.92
IUPAC Nameethyl 4-[(4-chlorophenyl)methylamino]-6,8-dimethylquinoline-3-carboxylate;ethyl 6,8-dimethyl-4-(4-methylpiperidin-1-yl)quinoline-3-carboxylate;ethyl 4-(4,4-dimethylpiperidin-1-yl)-6,8-dimethylquinoline-3-carboxylate;ethyl 4-[4-(hydroxymethyl)piperidin-1-yl]-6,8-dimethylquinoline-3-carboxylate;ethyl 4-(4-hydroxypiperidin-1-yl)-6,8-dimethylquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(C)cc(C)cc2c1N1CCC(C)(C)CC1.CCOC(=O)c1cnc2c(C)cc(C)cc2c1N1CCC(C)CC1.CCOC(=O)c1cnc2c(C)cc(C)cc2c1N1CCC(CO)CC1.CCOC(=O)c1cnc2c(C)cc(C)cc2c1N1CCC(O)CC1.CCOC(=O)c1cnc2c(C)cc(C)cc2c1NCc1ccc(Cl)cc1
InChIInChI=1S/C21H21ClN2O2.C21H28N2O2.C20H26N2O3.C20H26N2O2.C19H24N2O3/c1-4-26-21(25)18-12-24-19-14(3)9-13(2)10-17(19)20(18)23-11-15-5-7-16(22)8-6-15;1-6-25-20(24)17-13-22-18-15(3)11-14(2)12-16(18)19(17)23-9-7-21(4,5)8-10-23;1-4-25-20(24)17-11-21-18-14(3)9-13(2)10-16(18)19(17)22-7-5-15(12-23)6-8-22;1-5-24-20(23)17-12-21-18-15(4)10-14(3)11-16(18)19(17)22-8-6-13(2)7-9-22;1-4-24-19(23)16-11-20-17-13(3)9-12(2)10-15(17)18(16)21-7-5-14(22)6-8-21/h5-10,12H,4,11H2,1-3H3,(H,23,24);11-13H,6-10H2,1-5H3;9-11,15,23H,4-8,12H2,1-3H3;10-13H,5-9H2,1-4H3;9-11,14,22H,4-8H2,1-3H3
InChIKeyMRJJSGBPTOJLKX-UHFFFAOYSA-N
XLogP20.44
TPSA261.40 Ų
H-Bond Donors3
H-Bond Acceptors22
Rotatable Bonds18
Heavy Atoms124
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001706.62
LogP ≤ 520.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

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

Analyze ethyl 4-[(4-chlorophenyl)methylamino]-6,8-dimethylquinoline-3-carboxylate;ethyl 6,8-dimethyl-4-(4-methylpiperidin-1-yl)quinoline-3-carboxylate;ethyl 4-(4,4-dimethylpiperidin-1-yl)-6,8-dimethylquinoline-3-carboxylate;ethyl 4-[4-(hydroxymethyl)piperidin-1-yl]-6,8-dimethylquinoline-3-carboxylate;ethyl 4-(4-hydroxypiperidin-1-yl)-6,8-dimethylquinoline-3-carboxylate with MolForge

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Related Compounds

2,3-Dihydroxypropyl 2-[(7-chloroquinolin-4-yl)amino]benzoate;2,3-dihydroxypropyl 2-[[8-(trifluoromethyl)quinolin-4-yl]amino]benzoate
CID 174805868
[3-Butanoyl-4-(2-methylanilino)quinolin-6-yl]methyl benzoate;1-[6-(hydroxymethyl)-4-(2-methylanilino)quinolin-3-yl]butan-1-one
CID 70383795
(3-Butanoyl-4-chloroquinolin-6-yl)methyl benzoate;[3-butanoyl-4-(2-methylanilino)quinolin-6-yl]methyl benzoate
CID 70384206
Ethyl 4-[(4-chlorophenyl)methylamino]-6,8-dimethylquinoline-3-carboxylate
CID 135272180
Ethyl 8-[(4-chlorophenyl)-piperidin-1-ylmethyl]-4-(2-methylanilino)quinoline-3-carboxylate
CID 139661303
Ethyl 8-[bis(4-chlorophenyl)-hydroxymethyl]-4-(2-methylanilino)quinoline-3-carboxylate
CID 139661330
(2S)-2-[9-(4-chlorophenyl)-3-fluoro-7,10-dimethyl-5-oxo-6H-benzo[h][1,6]naphthyridin-8-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;ethane;(2S)-2-[3-fluoro-7,10-dimethyl-9-(4-methylphenyl)benzo[h][1,6]naphthyridin-8-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
CID 144676860
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
Sodium;5-[(3-chloroquinolin-6-yl)methyl]pyridine-3-carboxylic acid;ethyl 5-[(3-chloroquinolin-6-yl)methyl]pyridine-3-carboxylate;hydroxide
CID 157206630
Diphenylmethanimine;ethyl 7-(benzhydrylideneamino)quinoline-3-carboxylate;ethyl 7-chloroquinoline-3-carboxylate
CID 157221146
Ethyl 4-(3-aminopropylamino)-6,8-dimethylquinoline-3-carboxylate;ethyl 4-[3-(diethylamino)propylamino]-6,8-dimethylquinoline-3-carboxylate;ethyl 6,8-dimethyl-4-[3-(methylamino)propylamino]quinoline-3-carboxylate;ethyl 6,8-dimethyl-4-[3-(propan-2-ylamino)propylamino]quinoline-3-carboxylate;ethyl 6,8-dimethyl-4-(3-pyrrolidin-1-ylpropylamino)quinoline-3-carboxylate
CID 157349637
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

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(4-chlorophenyl)methylamino]-6,8-dimethylquinoline-3-carboxylate;ethyl 6,8-dimethyl-4-(4-methylpiperidin-1-yl)quinoline-3-carboxylate;ethyl 4-(4,4-dimethylpiperidin-1-yl)-6,8-dimethylquinoline-3-carboxylate;ethyl 4-[4-(hydroxymethyl)piperidin-1-yl]-6,8-dimethylquinoline-3-carboxylate;ethyl 4-(4-hydroxypiperidin-1-yl)-6,8-dimethylquinoline-3-carboxylate?
The IUPAC name of ethyl 4-[(4-chlorophenyl)methylamino]-6,8-dimethylquinoline-3-carboxylate;ethyl 6,8-dimethyl-4-(4-methylpiperidin-1-yl)quinoline-3-carboxylate;ethyl 4-(4,4-dimethylpiperidin-1-yl)-6,8-dimethylquinoline-3-carboxylate;ethyl 4-[4-(hydroxymethyl)piperidin-1-yl]-6,8-dimethylquinoline-3-carboxylate;ethyl 4-(4-hydroxypiperidin-1-yl)-6,8-dimethylquinoline-3-carboxylate (CID 159649410) is ethyl 4-[(4-chlorophenyl)methylamino]-6,8-dimethylquinoline-3-carboxylate;ethyl 6,8-dimethyl-4-(4-methylpiperidin-1-yl)quinoline-3-carboxylate;ethyl 4-(4,4-dimethylpiperidin-1-yl)-6,8-dimethylquinoline-3-carboxylate;ethyl 4-[4-(hydroxymethyl)piperidin-1-yl]-6,8-dimethylquinoline-3-carboxylate;ethyl 4-(4-hydroxypiperidin-1-yl)-6,8-dimethylquinoline-3-carboxylate.
What is the SMILES notation for ethyl 4-[(4-chlorophenyl)methylamino]-6,8-dimethylquinoline-3-carboxylate;ethyl 6,8-dimethyl-4-(4-methylpiperidin-1-yl)quinoline-3-carboxylate;ethyl 4-(4,4-dimethylpiperidin-1-yl)-6,8-dimethylquinoline-3-carboxylate;ethyl 4-[4-(hydroxymethyl)piperidin-1-yl]-6,8-dimethylquinoline-3-carboxylate;ethyl 4-(4-hydroxypiperidin-1-yl)-6,8-dimethylquinoline-3-carboxylate?
The canonical SMILES for ethyl 4-[(4-chlorophenyl)methylamino]-6,8-dimethylquinoline-3-carboxylate;ethyl 6,8-dimethyl-4-(4-methylpiperidin-1-yl)quinoline-3-carboxylate;ethyl 4-(4,4-dimethylpiperidin-1-yl)-6,8-dimethylquinoline-3-carboxylate;ethyl 4-[4-(hydroxymethyl)piperidin-1-yl]-6,8-dimethylquinoline-3-carboxylate;ethyl 4-(4-hydroxypiperidin-1-yl)-6,8-dimethylquinoline-3-carboxylate is CCOC(=O)c1cnc2c(C)cc(C)cc2c1N1CCC(C)(C)CC1.CCOC(=O)c1cnc2c(C)cc(C)cc2c1N1CCC(C)CC1.CCOC(=O)c1cnc2c(C)cc(C)cc2c1N1CCC(CO)CC1.CCOC(=O)c1cnc2c(C)cc(C)cc2c1N1CCC(O)CC1.CCOC(=O)c1cnc2c(C)cc(C)cc2c1NCc1ccc(Cl)cc1.
What is the InChIKey of ethyl 4-[(4-chlorophenyl)methylamino]-6,8-dimethylquinoline-3-carboxylate;ethyl 6,8-dimethyl-4-(4-methylpiperidin-1-yl)quinoline-3-carboxylate;ethyl 4-(4,4-dimethylpiperidin-1-yl)-6,8-dimethylquinoline-3-carboxylate;ethyl 4-[4-(hydroxymethyl)piperidin-1-yl]-6,8-dimethylquinoline-3-carboxylate;ethyl 4-(4-hydroxypiperidin-1-yl)-6,8-dimethylquinoline-3-carboxylate?
The InChIKey is MRJJSGBPTOJLKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O2.C21H28N2O2.C20H26N2O3.C20H26N2O2.C19H24N2O3/c1-4-26-21(25)18-12-24-19-14(3)9-13(2)10-17(19)20(18)23-11-15-5-7-16(22)8-6-15;1-6-25-20(24)17-13-22-18-15(3)11-14(2)12-16(18)19(17)23-9-7-21(4,5)8-10-23;1-4-25-20(24)17-11-21-18-14(3)9-13(2)10-16(18)19(17)22-7-5-15(12-23)6-8-22;1-5-24-20(23)17-12-21-18-15(4)10-14(3)11-16(18)19(17)22-8-6-13(2)7-9-22;1-4-24-19(23)16-11-20-17-13(3)9-12(2)10-15(17)18(16)21-7-5-14(22)6-8-21/h5-10,12H,4,11H2,1-3H3,(H,23,24);11-13H,6-10H2,1-5H3;9-11,15,23H,4-8,12H2,1-3H3;10-13H,5-9H2,1-4H3;9-11,14,22H,4-8H2,1-3H3.
What are the key properties of ethyl 4-[(4-chlorophenyl)methylamino]-6,8-dimethylquinoline-3-carboxylate;ethyl 6,8-dimethyl-4-(4-methylpiperidin-1-yl)quinoline-3-carboxylate;ethyl 4-(4,4-dimethylpiperidin-1-yl)-6,8-dimethylquinoline-3-carboxylate;ethyl 4-[4-(hydroxymethyl)piperidin-1-yl]-6,8-dimethylquinoline-3-carboxylate;ethyl 4-(4-hydroxypiperidin-1-yl)-6,8-dimethylquinoline-3-carboxylate?
ethyl 4-[(4-chlorophenyl)methylamino]-6,8-dimethylquinoline-3-carboxylate;ethyl 6,8-dimethyl-4-(4-methylpiperidin-1-yl)quinoline-3-carboxylate;ethyl 4-(4,4-dimethylpiperidin-1-yl)-6,8-dimethylquinoline-3-carboxylate;ethyl 4-[4-(hydroxymethyl)piperidin-1-yl]-6,8-dimethylquinoline-3-carboxylate;ethyl 4-(4-hydroxypiperidin-1-yl)-6,8-dimethylquinoline-3-carboxylate has a molecular weight of 1706.62 g/mol, XLogP of 20.44, 18 rotatable bonds, 3 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(4-chlorophenyl)methylamino]-6,8-dimethylquinoline-3-carboxylate;ethyl 6,8-dimethyl-4-(4-methylpiperidin-1-yl)quinoline-3-carboxylate;ethyl 4-(4,4-dimethylpiperidin-1-yl)-6,8-dimethylquinoline-3-carboxylate;ethyl 4-[4-(hydroxymethyl)piperidin-1-yl]-6,8-dimethylquinoline-3-carboxylate;ethyl 4-(4-hydroxypiperidin-1-yl)-6,8-dimethylquinoline-3-carboxylate is sourced from PubChem (CID 159649410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).