1-(4-amino-2-methylquinolin-5-yl)oxy-2,2-dimethyl-5-(4-methylphenyl)pentan-3-one;1-(4-amino-2-methylquinolin-5-yl)oxy-2,2-dimethyl-5-phenylpentan-3-one;1-[4-[(4-amino-2-methylquinolin-5-yl)oxymethyl]piperidin-1-yl]-2-methylpropan-1-one;4-[(4-amino-2-methylquinolin-5-yl)oxymethyl]-N-propan-2-ylcyclohexane-1-carboxamide;heptakis(carbon dioxide);5-(2,2-dimethylbutoxy)-2-methylquinolin-4-amine;methane;2-methyl-5-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methoxy]quinolin-4-amine;2-methyl-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyquinolin-4-amine

C156H193N17O25 — CID 158495836

IUPAC1-(4-amino-2-methylquinolin-5-yl)oxy-2,2-dimethyl-5-(4-methylphenyl)pentan-3-one;1-(4-amino-2-methylquinolin-5-yl)oxy-2,2-dimethyl-5-phenylpentan-3-one;1-[4-[(4-amino-2-methylquinolin-5-yl)oxymethyl]piperidin-1-yl]-2-methylpropan-1-one;4-[(4-amino-2-methylquinolin-5-yl)oxymethyl]-N-propan-2-ylcyclohexane-1-carboxamide;heptakis(carbon dioxide);5-(2,2-dimethylbutoxy)-2-methylquinolin-4-amine;methane;2-methyl-5-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methoxy]quinolin-4-amine;2-methyl-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyquinolin-4-amine
SMILESC.CCC(C)(C)COc1cccc2nc(C)cc(N)c12.Cc1cc(N)c2c(OCC(C)(C)C(=O)CCc3ccccc3)cccc2n1.Cc1cc(N)c2c(OCC3CCC(C(=O)NC(C)C)CC3)cccc2n1.Cc1cc(N)c2c(OCC3CCN(C(=O)C(C)C)CC3)cccc2n1.Cc1cc(N)c2c(O[C@@H]3C[C@H](C)CC[C@H]3C(C)C)cccc2n1.Cc1ccc(CCC(=O)C(C)(C)COc2cccc3nc(C)cc(N)c23)cc1.Cc1ccc(CN2CCC(COc3cccc4nc(C)cc(N)c34)CC2)cc1.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O
InChIInChI=1S/C24H29N3O.C24H28N2O2.C23H26N2O2.C21H29N3O2.C20H27N3O2.C20H28N2O.C16H22N2O.7CO2.CH4/c1-17-6-8-19(9-7-17)15-27-12-10-20(11-13-27)16-28-23-5-3-4-22-24(23)21(25)14-18(2)26-22;1-16-8-10-18(11-9-16)12-13-22(27)24(3,4)15-28-21-7-5-6-20-23(21)19(25)14-17(2)26-20;1-16-14-18(24)22-19(25-16)10-7-11-20(22)27-15-23(2,3)21(26)13-12-17-8-5-4-6-9-17;1-13(2)23-21(25)16-9-7-15(8-10-16)12-26-19-6-4-5-18-20(19)17(22)11-14(3)24-18;1-13(2)20(24)23-9-7-15(8-10-23)12-25-18-6-4-5-17-19(18)16(21)11-14(3)22-17;1-12(2)15-9-8-13(3)10-19(15)23-18-7-5-6-17-20(18)16(21)11-14(4)22-17;1-5-16(3,4)10-19-14-8-6-7-13-15(14)12(17)9-11(2)18-13;7*2-1-3;/h3-9,14,20H,10-13,15-16H2,1-2H3,(H2,25,26);5-11,14H,12-13,15H2,1-4H3,(H2,25,26);4-11,14H,12-13,15H2,1-3H3,(H2,24,25);4-6,11,13,15-16H,7-10,12H2,1-3H3,(H2,22,24)(H,23,25);4-6,11,13,15H,7-10,12H2,1-3H3,(H2,21,22);5-7,11-13,15,19H,8-10H2,1-4H3,(H2,21,22);6-9H,5,10H2,1-4H3,(H2,17,18);;;;;;;;1H4/t;;;;;13-,15+,19-;;;;;;;;;/m.....1........./s1
InChIKeyHJGVCKIGGVLYMT-PKADNGNYSA-N
MW2706.35 g/mol
LogP27.19
Rot. Bonds35

About 1-(4-amino-2-methylquinolin-5-yl)oxy-2,2-dimethyl-5-(4-methylphenyl)pentan-3-one;1-(4-amino-2-methylquinolin-5-yl)oxy-2,2-dimethyl-5-phenylpentan-3-one;1-[4-[(4-amino-2-methylquinolin-5-yl)oxymethyl]piperidin-1-yl]-2-methylpropan-1-one;4-[(4-amino-2-methylquinolin-5-yl)oxymethyl]-N-propan-2-ylcyclohexane-1-carboxamide;heptakis(carbon dioxide);5-(2,2-dimethylbutoxy)-2-methylquinolin-4-amine;methane;2-methyl-5-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methoxy]quinolin-4-amine;2-methyl-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyquinolin-4-amine

1-(4-amino-2-methylquinolin-5-yl)oxy-2,2-dimethyl-5-(4-methylphenyl)pentan-3-one;1-(4-amino-2-methylquinolin-5-yl)oxy-2,2-dimethyl-5-phenylpentan-3-one;1-[4-[(4-amino-2-methylquinolin-5-yl)oxymethyl]piperidin-1-yl]-2-methylpropan-1-one;4-[(4-amino-2-methylquinolin-5-yl)oxymethyl]-N-propan-2-ylcyclohexane-1-carboxamide;heptakis(carbon dioxide);5-(2,2-dimethylbutoxy)-2-methylquinolin-4-amine;methane;2-methyl-5-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methoxy]quinolin-4-amine;2-methyl-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyquinolin-4-amine (PubChem CID 158495836) has the molecular formula C156H193N17O25 and a molecular weight of 2706.35 g/mol. Its IUPAC name is 1-(4-amino-2-methylquinolin-5-yl)oxy-2,2-dimethyl-5-(4-methylphenyl)pentan-3-one;1-(4-amino-2-methylquinolin-5-yl)oxy-2,2-dimethyl-5-phenylpentan-3-one;1-[4-[(4-amino-2-methylquinolin-5-yl)oxymethyl]piperidin-1-yl]-2-methylpropan-1-one;4-[(4-amino-2-methylquinolin-5-yl)oxymethyl]-N-propan-2-ylcyclohexane-1-carboxamide;heptakis(carbon dioxide);5-(2,2-dimethylbutoxy)-2-methylquinolin-4-amine;methane;2-methyl-5-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methoxy]quinolin-4-amine;2-methyl-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyquinolin-4-amine.

Molecular Properties

Compound Name1-(4-amino-2-methylquinolin-5-yl)oxy-2,2-dimethyl-5-(4-methylphenyl)pentan-3-one;1-(4-amino-2-methylquinolin-5-yl)oxy-2,2-dimethyl-5-phenylpentan-3-one;1-[4-[(4-amino-2-methylquinolin-5-yl)oxymethyl]piperidin-1-yl]-2-methylpropan-1-one;4-[(4-amino-2-methylquinolin-5-yl)oxymethyl]-N-propan-2-ylcyclohexane-1-carboxamide;heptakis(carbon dioxide);5-(2,2-dimethylbutoxy)-2-methylquinolin-4-amine;methane;2-methyl-5-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methoxy]quinolin-4-amine;2-methyl-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyquinolin-4-amine
PubChem CID158495836
Molecular FormulaC156H193N17O25
Molecular Weight2706.35 g/mol
Exact Mass2704.44
IUPAC Name1-(4-amino-2-methylquinolin-5-yl)oxy-2,2-dimethyl-5-(4-methylphenyl)pentan-3-one;1-(4-amino-2-methylquinolin-5-yl)oxy-2,2-dimethyl-5-phenylpentan-3-one;1-[4-[(4-amino-2-methylquinolin-5-yl)oxymethyl]piperidin-1-yl]-2-methylpropan-1-one;4-[(4-amino-2-methylquinolin-5-yl)oxymethyl]-N-propan-2-ylcyclohexane-1-carboxamide;heptakis(carbon dioxide);5-(2,2-dimethylbutoxy)-2-methylquinolin-4-amine;methane;2-methyl-5-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methoxy]quinolin-4-amine;2-methyl-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyquinolin-4-amine
SMILESC.CCC(C)(C)COc1cccc2nc(C)cc(N)c12.Cc1cc(N)c2c(OCC(C)(C)C(=O)CCc3ccccc3)cccc2n1.Cc1cc(N)c2c(OCC3CCC(C(=O)NC(C)C)CC3)cccc2n1.Cc1cc(N)c2c(OCC3CCN(C(=O)C(C)C)CC3)cccc2n1.Cc1cc(N)c2c(O[C@@H]3C[C@H](C)CC[C@H]3C(C)C)cccc2n1.Cc1ccc(CCC(=O)C(C)(C)COc2cccc3nc(C)cc(N)c23)cc1.Cc1ccc(CN2CCC(COc3cccc4nc(C)cc(N)c34)CC2)cc1.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O
InChIInChI=1S/C24H29N3O.C24H28N2O2.C23H26N2O2.C21H29N3O2.C20H27N3O2.C20H28N2O.C16H22N2O.7CO2.CH4/c1-17-6-8-19(9-7-17)15-27-12-10-20(11-13-27)16-28-23-5-3-4-22-24(23)21(25)14-18(2)26-22;1-16-8-10-18(11-9-16)12-13-22(27)24(3,4)15-28-21-7-5-6-20-23(21)19(25)14-17(2)26-20;1-16-14-18(24)22-19(25-16)10-7-11-20(22)27-15-23(2,3)21(26)13-12-17-8-5-4-6-9-17;1-13(2)23-21(25)16-9-7-15(8-10-16)12-26-19-6-4-5-18-20(19)17(22)11-14(3)24-18;1-13(2)20(24)23-9-7-15(8-10-23)12-25-18-6-4-5-17-19(18)16(21)11-14(3)22-17;1-12(2)15-9-8-13(3)10-19(15)23-18-7-5-6-17-20(18)16(21)11-14(4)22-17;1-5-16(3,4)10-19-14-8-6-7-13-15(14)12(17)9-11(2)18-13;7*2-1-3;/h3-9,14,20H,10-13,15-16H2,1-2H3,(H2,25,26);5-11,14H,12-13,15H2,1-4H3,(H2,25,26);4-11,14H,12-13,15H2,1-3H3,(H2,24,25);4-6,11,13,15-16H,7-10,12H2,1-3H3,(H2,22,24)(H,23,25);4-6,11,13,15H,7-10,12H2,1-3H3,(H2,21,22);5-7,11-13,15,19H,8-10H2,1-4H3,(H2,21,22);6-9H,5,10H2,1-4H3,(H2,17,18);;;;;;;;1H4/t;;;;;13-,15+,19-;;;;;;;;;/m.....1........./s1
InChIKeyHJGVCKIGGVLYMT-PKADNGNYSA-N
XLogP27.19
TPSA662.75 Ų
H-Bond Donors8
H-Bond Acceptors40
Rotatable Bonds35
Heavy Atoms198
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002706.35
LogP ≤ 527.19
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1040

Analyze 1-(4-amino-2-methylquinolin-5-yl)oxy-2,2-dimethyl-5-(4-methylphenyl)pentan-3-one;1-(4-amino-2-methylquinolin-5-yl)oxy-2,2-dimethyl-5-phenylpentan-3-one;1-[4-[(4-amino-2-methylquinolin-5-yl)oxymethyl]piperidin-1-yl]-2-methylpropan-1-one;4-[(4-amino-2-methylquinolin-5-yl)oxymethyl]-N-propan-2-ylcyclohexane-1-carboxamide;heptakis(carbon dioxide);5-(2,2-dimethylbutoxy)-2-methylquinolin-4-amine;methane;2-methyl-5-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methoxy]quinolin-4-amine;2-methyl-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyquinolin-4-amine with MolForge

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Related Compounds

[4-Benzyl-1-[2-[3-[(2-methylquinolin-4-yl)amino]phenoxy]ethyl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 59644218
[4-Benzyl-1-[2-[3-[(2-methylquinolin-4-yl)amino]phenoxy]ethyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 59644348
N-[4-[3-[benzyl-(2-methylquinolin-4-yl)amino]phenoxy]-1-phenylbutan-2-yl]piperidine-4-carboxamide
CID 140489816
N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]acetamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]butanamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3,4-dihydro-2H-chromene-8-carboxamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-4-ethylbenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]oxolane-3-carboxamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]propanamide;hexakis(carbon dioxide)
CID 157054369
1-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]butan-1-one;1-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]propan-1-one;3-(4-amino-2-methylquinolin-5-yl)oxy-2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-4-methylcyclohexane-1-carboxamide;2-(4-amino-2-methylquinolin-5-yl)oxy-N-propan-2-ylacetamide;bis(1-(4-amino-2-methylquinolin-5-yl)oxy-2,2,5-trimethylhexan-3-one);heptakis(carbon dioxide)
CID 157068986
4-(4-amino-2-methylquinolin-5-yl)oxy-1-cycloheptyl-3,3-dimethylbutan-2-one;4-(4-amino-2-methylquinolin-5-yl)oxy-1-cyclohexyl-3,3-dimethylbutan-2-one;1-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]-3-methylbutan-1-one;4-(4-amino-2-methylquinolin-5-yl)oxy-1-cyclooctyl-3,3-dimethylbutan-2-one;4-(4-amino-2-methylquinolin-5-yl)oxy-1-(3,4-dihydro-2H-chromen-4-yl)-3,3-dimethylbutan-2-one;1-(4-amino-2-methylquinolin-5-yl)oxy-2,2-dimethyl-5-(3-methylphenyl)pentan-3-one;1-(4-amino-2-methylquinolin-5-yl)oxy-2,2,6,6-tetramethyloctan-3-one;heptakis(carbon dioxide)
CID 157082514
N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]acetamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]butanamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3,4-dihydro-2H-chromene-8-carboxamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-4-ethylbenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-methoxy-5-methylbenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]oxolane-3-carboxamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]propanamide;heptakis(carbon dioxide)
CID 157125915
4-(4-amino-2-methylquinolin-5-yl)oxy-1-(3,4-dihydro-2H-chromen-4-yl)-3,3-dimethylbutan-2-one;4-(4-amino-2-methylquinolin-5-yl)oxy-3,3-dimethyl-1-(5-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-one;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]benzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-2-hydroxybenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-methylbenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-4-methylbenzamide;hexakis(carbon dioxide);methane
CID 157195542
N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-methoxy-5-methylbenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxypropan-2-yl]benzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxypropan-2-yl]cyclohexanecarboxamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxypropan-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxypropan-2-yl]-3,4-dihydro-2H-chromene-8-carboxamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxypropan-2-yl]-3-methylbenzamide;hexakis(carbon dioxide)
CID 157195845
(4-amino-5-cyclohexyloxyquinolin-2-yl)methanol;1-[3-[(1R,2R)-2-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]oxy-4-methylphenyl]-3-methylbutan-1-one;4-[(4-amino-2-methylquinolin-5-yl)oxymethyl]-N-propan-2-ylcyclohexane-1-carboxamide;hexakis(carbon dioxide);5-cyclohexyloxy-2-methylquinolin-4-amine;2-methyl-5-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methoxy]quinolin-4-amine;2-methyl-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyquinolin-4-amine
CID 157217769
(2S)-2-ethyl-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinoline;7-[1-[[(2S)-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl]methyl]piperidin-4-yl]oxy-3,4-dihydro-1H-quinolin-2-one;7-piperidin-4-yloxy-3,4-dihydro-1H-quinolin-2-one
CID 157230028
N-[1-(4-amino-2-methylquinolin-5-yl)oxybutan-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxybutan-2-yl]-3-methylbenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-3-methylbutan-2-yl]-4-butoxy-3-methoxybenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-3-methylbutan-2-yl]-3,4-dihydro-2H-chromene-8-carboxamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-3-methylbutan-2-yl]-3-hydroxy-5-methylbenzamide;pentakis(carbon dioxide)
CID 157258207

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-2-methylquinolin-5-yl)oxy-2,2-dimethyl-5-(4-methylphenyl)pentan-3-one;1-(4-amino-2-methylquinolin-5-yl)oxy-2,2-dimethyl-5-phenylpentan-3-one;1-[4-[(4-amino-2-methylquinolin-5-yl)oxymethyl]piperidin-1-yl]-2-methylpropan-1-one;4-[(4-amino-2-methylquinolin-5-yl)oxymethyl]-N-propan-2-ylcyclohexane-1-carboxamide;heptakis(carbon dioxide);5-(2,2-dimethylbutoxy)-2-methylquinolin-4-amine;methane;2-methyl-5-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methoxy]quinolin-4-amine;2-methyl-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyquinolin-4-amine?
The IUPAC name of 1-(4-amino-2-methylquinolin-5-yl)oxy-2,2-dimethyl-5-(4-methylphenyl)pentan-3-one;1-(4-amino-2-methylquinolin-5-yl)oxy-2,2-dimethyl-5-phenylpentan-3-one;1-[4-[(4-amino-2-methylquinolin-5-yl)oxymethyl]piperidin-1-yl]-2-methylpropan-1-one;4-[(4-amino-2-methylquinolin-5-yl)oxymethyl]-N-propan-2-ylcyclohexane-1-carboxamide;heptakis(carbon dioxide);5-(2,2-dimethylbutoxy)-2-methylquinolin-4-amine;methane;2-methyl-5-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methoxy]quinolin-4-amine;2-methyl-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyquinolin-4-amine (CID 158495836) is 1-(4-amino-2-methylquinolin-5-yl)oxy-2,2-dimethyl-5-(4-methylphenyl)pentan-3-one;1-(4-amino-2-methylquinolin-5-yl)oxy-2,2-dimethyl-5-phenylpentan-3-one;1-[4-[(4-amino-2-methylquinolin-5-yl)oxymethyl]piperidin-1-yl]-2-methylpropan-1-one;4-[(4-amino-2-methylquinolin-5-yl)oxymethyl]-N-propan-2-ylcyclohexane-1-carboxamide;heptakis(carbon dioxide);5-(2,2-dimethylbutoxy)-2-methylquinolin-4-amine;methane;2-methyl-5-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methoxy]quinolin-4-amine;2-methyl-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyquinolin-4-amine.
What is the SMILES notation for 1-(4-amino-2-methylquinolin-5-yl)oxy-2,2-dimethyl-5-(4-methylphenyl)pentan-3-one;1-(4-amino-2-methylquinolin-5-yl)oxy-2,2-dimethyl-5-phenylpentan-3-one;1-[4-[(4-amino-2-methylquinolin-5-yl)oxymethyl]piperidin-1-yl]-2-methylpropan-1-one;4-[(4-amino-2-methylquinolin-5-yl)oxymethyl]-N-propan-2-ylcyclohexane-1-carboxamide;heptakis(carbon dioxide);5-(2,2-dimethylbutoxy)-2-methylquinolin-4-amine;methane;2-methyl-5-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methoxy]quinolin-4-amine;2-methyl-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyquinolin-4-amine?
The canonical SMILES for 1-(4-amino-2-methylquinolin-5-yl)oxy-2,2-dimethyl-5-(4-methylphenyl)pentan-3-one;1-(4-amino-2-methylquinolin-5-yl)oxy-2,2-dimethyl-5-phenylpentan-3-one;1-[4-[(4-amino-2-methylquinolin-5-yl)oxymethyl]piperidin-1-yl]-2-methylpropan-1-one;4-[(4-amino-2-methylquinolin-5-yl)oxymethyl]-N-propan-2-ylcyclohexane-1-carboxamide;heptakis(carbon dioxide);5-(2,2-dimethylbutoxy)-2-methylquinolin-4-amine;methane;2-methyl-5-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methoxy]quinolin-4-amine;2-methyl-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyquinolin-4-amine is C.CCC(C)(C)COc1cccc2nc(C)cc(N)c12.Cc1cc(N)c2c(OCC(C)(C)C(=O)CCc3ccccc3)cccc2n1.Cc1cc(N)c2c(OCC3CCC(C(=O)NC(C)C)CC3)cccc2n1.Cc1cc(N)c2c(OCC3CCN(C(=O)C(C)C)CC3)cccc2n1.Cc1cc(N)c2c(O[C@@H]3C[C@H](C)CC[C@H]3C(C)C)cccc2n1.Cc1ccc(CCC(=O)C(C)(C)COc2cccc3nc(C)cc(N)c23)cc1.Cc1ccc(CN2CCC(COc3cccc4nc(C)cc(N)c34)CC2)cc1.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.
What is the InChIKey of 1-(4-amino-2-methylquinolin-5-yl)oxy-2,2-dimethyl-5-(4-methylphenyl)pentan-3-one;1-(4-amino-2-methylquinolin-5-yl)oxy-2,2-dimethyl-5-phenylpentan-3-one;1-[4-[(4-amino-2-methylquinolin-5-yl)oxymethyl]piperidin-1-yl]-2-methylpropan-1-one;4-[(4-amino-2-methylquinolin-5-yl)oxymethyl]-N-propan-2-ylcyclohexane-1-carboxamide;heptakis(carbon dioxide);5-(2,2-dimethylbutoxy)-2-methylquinolin-4-amine;methane;2-methyl-5-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methoxy]quinolin-4-amine;2-methyl-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyquinolin-4-amine?
The InChIKey is HJGVCKIGGVLYMT-PKADNGNYSA-N. The full InChI is InChI=1S/C24H29N3O.C24H28N2O2.C23H26N2O2.C21H29N3O2.C20H27N3O2.C20H28N2O.C16H22N2O.7CO2.CH4/c1-17-6-8-19(9-7-17)15-27-12-10-20(11-13-27)16-28-23-5-3-4-22-24(23)21(25)14-18(2)26-22;1-16-8-10-18(11-9-16)12-13-22(27)24(3,4)15-28-21-7-5-6-20-23(21)19(25)14-17(2)26-20;1-16-14-18(24)22-19(25-16)10-7-11-20(22)27-15-23(2,3)21(26)13-12-17-8-5-4-6-9-17;1-13(2)23-21(25)16-9-7-15(8-10-16)12-26-19-6-4-5-18-20(19)17(22)11-14(3)24-18;1-13(2)20(24)23-9-7-15(8-10-23)12-25-18-6-4-5-17-19(18)16(21)11-14(3)22-17;1-12(2)15-9-8-13(3)10-19(15)23-18-7-5-6-17-20(18)16(21)11-14(4)22-17;1-5-16(3,4)10-19-14-8-6-7-13-15(14)12(17)9-11(2)18-13;7*2-1-3;/h3-9,14,20H,10-13,15-16H2,1-2H3,(H2,25,26);5-11,14H,12-13,15H2,1-4H3,(H2,25,26);4-11,14H,12-13,15H2,1-3H3,(H2,24,25);4-6,11,13,15-16H,7-10,12H2,1-3H3,(H2,22,24)(H,23,25);4-6,11,13,15H,7-10,12H2,1-3H3,(H2,21,22);5-7,11-13,15,19H,8-10H2,1-4H3,(H2,21,22);6-9H,5,10H2,1-4H3,(H2,17,18);;;;;;;;1H4/t;;;;;13-,15+,19-;;;;;;;;;/m.....1........./s1.
What are the key properties of 1-(4-amino-2-methylquinolin-5-yl)oxy-2,2-dimethyl-5-(4-methylphenyl)pentan-3-one;1-(4-amino-2-methylquinolin-5-yl)oxy-2,2-dimethyl-5-phenylpentan-3-one;1-[4-[(4-amino-2-methylquinolin-5-yl)oxymethyl]piperidin-1-yl]-2-methylpropan-1-one;4-[(4-amino-2-methylquinolin-5-yl)oxymethyl]-N-propan-2-ylcyclohexane-1-carboxamide;heptakis(carbon dioxide);5-(2,2-dimethylbutoxy)-2-methylquinolin-4-amine;methane;2-methyl-5-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methoxy]quinolin-4-amine;2-methyl-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyquinolin-4-amine?
1-(4-amino-2-methylquinolin-5-yl)oxy-2,2-dimethyl-5-(4-methylphenyl)pentan-3-one;1-(4-amino-2-methylquinolin-5-yl)oxy-2,2-dimethyl-5-phenylpentan-3-one;1-[4-[(4-amino-2-methylquinolin-5-yl)oxymethyl]piperidin-1-yl]-2-methylpropan-1-one;4-[(4-amino-2-methylquinolin-5-yl)oxymethyl]-N-propan-2-ylcyclohexane-1-carboxamide;heptakis(carbon dioxide);5-(2,2-dimethylbutoxy)-2-methylquinolin-4-amine;methane;2-methyl-5-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methoxy]quinolin-4-amine;2-methyl-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyquinolin-4-amine has a molecular weight of 2706.35 g/mol, XLogP of 27.19, 35 rotatable bonds, 8 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-2-methylquinolin-5-yl)oxy-2,2-dimethyl-5-(4-methylphenyl)pentan-3-one;1-(4-amino-2-methylquinolin-5-yl)oxy-2,2-dimethyl-5-phenylpentan-3-one;1-[4-[(4-amino-2-methylquinolin-5-yl)oxymethyl]piperidin-1-yl]-2-methylpropan-1-one;4-[(4-amino-2-methylquinolin-5-yl)oxymethyl]-N-propan-2-ylcyclohexane-1-carboxamide;heptakis(carbon dioxide);5-(2,2-dimethylbutoxy)-2-methylquinolin-4-amine;methane;2-methyl-5-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methoxy]quinolin-4-amine;2-methyl-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyquinolin-4-amine is sourced from PubChem (CID 158495836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).