N-[1-(4-amino-2-methylquinolin-5-yl)oxy-3-methylbutan-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide;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;[3-[(4-amino-2-methylquinolin-5-yl)oxymethyl]piperidin-1-yl]-(3-methylphenyl)methanone;hexakis(carbon dioxide);5-(2-methoxycyclohexyl)oxy-2-methylquinolin-4-amine;2-methyl-5-[[4-(2-pyridin-4-ylprop-2-enyl)cyclohexyl]methoxy]quinolin-4-amine

C144H161N17O27 — CID 158407603

IUPACN-[1-(4-amino-2-methylquinolin-5-yl)oxy-3-methylbutan-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide;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;[3-[(4-amino-2-methylquinolin-5-yl)oxymethyl]piperidin-1-yl]-(3-methylphenyl)methanone;hexakis(carbon dioxide);5-(2-methoxycyclohexyl)oxy-2-methylquinolin-4-amine;2-methyl-5-[[4-(2-pyridin-4-ylprop-2-enyl)cyclohexyl]methoxy]quinolin-4-amine
SMILESC=C(CC1CCC(COc2cccc3nc(C)cc(N)c23)CC1)c1ccncc1.COC1CCCCC1Oc1cccc2nc(C)cc(N)c12.Cc1cc(N)c2c(OCC(NC(=O)c3ccc4c(c3)OCCO4)C(C)C)cccc2n1.Cc1cc(N)c2c(OCC(NC(=O)c3cccc4c3OCCC4)C(C)C)cccc2n1.Cc1cc(O)cc(C(=O)NC(COc2cccc3nc(C)cc(N)c23)C(C)C)c1.Cc1cccc(C(=O)N2CCCC(COc3cccc4nc(C)cc(N)c34)C2)c1.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O
InChIInChI=1S/C25H29N3O3.C25H29N3O.C24H27N3O4.C24H27N3O2.C23H27N3O3.C17H22N2O2.6CO2/c1-15(2)21(28-25(29)18-9-4-7-17-8-6-12-30-24(17)18)14-31-22-11-5-10-20-23(22)19(26)13-16(3)27-20;1-17(21-10-12-27-13-11-21)14-19-6-8-20(9-7-19)16-29-24-5-3-4-23-25(24)22(26)15-18(2)28-23;1-14(2)19(27-24(28)16-7-8-20-22(12-16)30-10-9-29-20)13-31-21-6-4-5-18-23(21)17(25)11-15(3)26-18;1-16-6-3-8-19(12-16)24(28)27-11-5-7-18(14-27)15-29-22-10-4-9-21-23(22)20(25)13-17(2)26-21;1-13(2)20(26-23(28)16-8-14(3)9-17(27)11-16)12-29-21-7-5-6-19-22(21)18(24)10-15(4)25-19;1-11-10-12(18)17-13(19-11)6-5-9-16(17)21-15-8-4-3-7-14(15)20-2;6*2-1-3/h4-5,7,9-11,13,15,21H,6,8,12,14H2,1-3H3,(H2,26,27)(H,28,29);3-5,10-13,15,19-20H,1,6-9,14,16H2,2H3,(H2,26,28);4-8,11-12,14,19H,9-10,13H2,1-3H3,(H2,25,26)(H,27,28);3-4,6,8-10,12-13,18H,5,7,11,14-15H2,1-2H3,(H2,25,26);5-11,13,20,27H,12H2,1-4H3,(H2,24,25)(H,26,28);5-6,9-10,14-15H,3-4,7-8H2,1-2H3,(H2,18,19);;;;;;
InChIKeyGYWYGUOCXOCZNA-UHFFFAOYSA-N
MW2561.96 g/mol
LogP22.12
Rot. Bonds31

About N-[1-(4-amino-2-methylquinolin-5-yl)oxy-3-methylbutan-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide;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;[3-[(4-amino-2-methylquinolin-5-yl)oxymethyl]piperidin-1-yl]-(3-methylphenyl)methanone;hexakis(carbon dioxide);5-(2-methoxycyclohexyl)oxy-2-methylquinolin-4-amine;2-methyl-5-[[4-(2-pyridin-4-ylprop-2-enyl)cyclohexyl]methoxy]quinolin-4-amine

N-[1-(4-amino-2-methylquinolin-5-yl)oxy-3-methylbutan-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide;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;[3-[(4-amino-2-methylquinolin-5-yl)oxymethyl]piperidin-1-yl]-(3-methylphenyl)methanone;hexakis(carbon dioxide);5-(2-methoxycyclohexyl)oxy-2-methylquinolin-4-amine;2-methyl-5-[[4-(2-pyridin-4-ylprop-2-enyl)cyclohexyl]methoxy]quinolin-4-amine (PubChem CID 158407603) has the molecular formula C144H161N17O27 and a molecular weight of 2561.96 g/mol. Its IUPAC name is N-[1-(4-amino-2-methylquinolin-5-yl)oxy-3-methylbutan-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide;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;[3-[(4-amino-2-methylquinolin-5-yl)oxymethyl]piperidin-1-yl]-(3-methylphenyl)methanone;hexakis(carbon dioxide);5-(2-methoxycyclohexyl)oxy-2-methylquinolin-4-amine;2-methyl-5-[[4-(2-pyridin-4-ylprop-2-enyl)cyclohexyl]methoxy]quinolin-4-amine.

Molecular Properties

Compound NameN-[1-(4-amino-2-methylquinolin-5-yl)oxy-3-methylbutan-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide;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;[3-[(4-amino-2-methylquinolin-5-yl)oxymethyl]piperidin-1-yl]-(3-methylphenyl)methanone;hexakis(carbon dioxide);5-(2-methoxycyclohexyl)oxy-2-methylquinolin-4-amine;2-methyl-5-[[4-(2-pyridin-4-ylprop-2-enyl)cyclohexyl]methoxy]quinolin-4-amine
PubChem CID158407603
Molecular FormulaC144H161N17O27
Molecular Weight2561.96 g/mol
Exact Mass2560.17
IUPAC NameN-[1-(4-amino-2-methylquinolin-5-yl)oxy-3-methylbutan-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide;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;[3-[(4-amino-2-methylquinolin-5-yl)oxymethyl]piperidin-1-yl]-(3-methylphenyl)methanone;hexakis(carbon dioxide);5-(2-methoxycyclohexyl)oxy-2-methylquinolin-4-amine;2-methyl-5-[[4-(2-pyridin-4-ylprop-2-enyl)cyclohexyl]methoxy]quinolin-4-amine
SMILESC=C(CC1CCC(COc2cccc3nc(C)cc(N)c23)CC1)c1ccncc1.COC1CCCCC1Oc1cccc2nc(C)cc(N)c12.Cc1cc(N)c2c(OCC(NC(=O)c3ccc4c(c3)OCCO4)C(C)C)cccc2n1.Cc1cc(N)c2c(OCC(NC(=O)c3cccc4c3OCCC4)C(C)C)cccc2n1.Cc1cc(O)cc(C(=O)NC(COc2cccc3nc(C)cc(N)c23)C(C)C)c1.Cc1cccc(C(=O)N2CCCC(COc3cccc4nc(C)cc(N)c34)C2)c1.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O
InChIInChI=1S/C25H29N3O3.C25H29N3O.C24H27N3O4.C24H27N3O2.C23H27N3O3.C17H22N2O2.6CO2/c1-15(2)21(28-25(29)18-9-4-7-17-8-6-12-30-24(17)18)14-31-22-11-5-10-20-23(22)19(26)13-16(3)27-20;1-17(21-10-12-27-13-11-21)14-19-6-8-20(9-7-19)16-29-24-5-3-4-23-25(24)22(26)15-18(2)28-23;1-14(2)19(27-24(28)16-7-8-20-22(12-16)30-10-9-29-20)13-31-21-6-4-5-18-23(21)17(25)11-15(3)26-18;1-16-6-3-8-19(12-16)24(28)27-11-5-7-18(14-27)15-29-22-10-4-9-21-23(22)20(25)13-17(2)26-21;1-13(2)20(26-23(28)16-8-14(3)9-17(27)11-16)12-29-21-7-5-6-19-22(21)18(24)10-15(4)25-19;1-11-10-12(18)17-13(19-11)6-5-9-16(17)21-15-8-4-3-7-14(15)20-2;6*2-1-3/h4-5,7,9-11,13,15,21H,6,8,12,14H2,1-3H3,(H2,26,27)(H,28,29);3-5,10-13,15,19-20H,1,6-9,14,16H2,2H3,(H2,26,28);4-8,11-12,14,19H,9-10,13H2,1-3H3,(H2,25,26)(H,27,28);3-4,6,8-10,12-13,18H,5,7,11,14-15H2,1-2H3,(H2,25,26);5-11,13,20,27H,12H2,1-4H3,(H2,24,25)(H,26,28);5-6,9-10,14-15H,3-4,7-8H2,1-2H3,(H2,18,19);;;;;;
InChIKeyGYWYGUOCXOCZNA-UHFFFAOYSA-N
XLogP22.12
TPSA671.33 Ų
H-Bond Donors10
H-Bond Acceptors40
Rotatable Bonds31
Heavy Atoms188
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002561.96
LogP ≤ 522.12
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1040

Analyze N-[1-(4-amino-2-methylquinolin-5-yl)oxy-3-methylbutan-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide;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;[3-[(4-amino-2-methylquinolin-5-yl)oxymethyl]piperidin-1-yl]-(3-methylphenyl)methanone;hexakis(carbon dioxide);5-(2-methoxycyclohexyl)oxy-2-methylquinolin-4-amine;2-methyl-5-[[4-(2-pyridin-4-ylprop-2-enyl)cyclohexyl]methoxy]quinolin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-amino-2-methylquinolin-5-yl)oxy-3-methylbutan-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide;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;[3-[(4-amino-2-methylquinolin-5-yl)oxymethyl]piperidin-1-yl]-(3-methylphenyl)methanone;hexakis(carbon dioxide);5-(2-methoxycyclohexyl)oxy-2-methylquinolin-4-amine;2-methyl-5-[[4-(2-pyridin-4-ylprop-2-enyl)cyclohexyl]methoxy]quinolin-4-amine?
The IUPAC name of N-[1-(4-amino-2-methylquinolin-5-yl)oxy-3-methylbutan-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide;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;[3-[(4-amino-2-methylquinolin-5-yl)oxymethyl]piperidin-1-yl]-(3-methylphenyl)methanone;hexakis(carbon dioxide);5-(2-methoxycyclohexyl)oxy-2-methylquinolin-4-amine;2-methyl-5-[[4-(2-pyridin-4-ylprop-2-enyl)cyclohexyl]methoxy]quinolin-4-amine (CID 158407603) is N-[1-(4-amino-2-methylquinolin-5-yl)oxy-3-methylbutan-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide;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;[3-[(4-amino-2-methylquinolin-5-yl)oxymethyl]piperidin-1-yl]-(3-methylphenyl)methanone;hexakis(carbon dioxide);5-(2-methoxycyclohexyl)oxy-2-methylquinolin-4-amine;2-methyl-5-[[4-(2-pyridin-4-ylprop-2-enyl)cyclohexyl]methoxy]quinolin-4-amine.
What is the SMILES notation for N-[1-(4-amino-2-methylquinolin-5-yl)oxy-3-methylbutan-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide;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;[3-[(4-amino-2-methylquinolin-5-yl)oxymethyl]piperidin-1-yl]-(3-methylphenyl)methanone;hexakis(carbon dioxide);5-(2-methoxycyclohexyl)oxy-2-methylquinolin-4-amine;2-methyl-5-[[4-(2-pyridin-4-ylprop-2-enyl)cyclohexyl]methoxy]quinolin-4-amine?
The canonical SMILES for N-[1-(4-amino-2-methylquinolin-5-yl)oxy-3-methylbutan-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide;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;[3-[(4-amino-2-methylquinolin-5-yl)oxymethyl]piperidin-1-yl]-(3-methylphenyl)methanone;hexakis(carbon dioxide);5-(2-methoxycyclohexyl)oxy-2-methylquinolin-4-amine;2-methyl-5-[[4-(2-pyridin-4-ylprop-2-enyl)cyclohexyl]methoxy]quinolin-4-amine is C=C(CC1CCC(COc2cccc3nc(C)cc(N)c23)CC1)c1ccncc1.COC1CCCCC1Oc1cccc2nc(C)cc(N)c12.Cc1cc(N)c2c(OCC(NC(=O)c3ccc4c(c3)OCCO4)C(C)C)cccc2n1.Cc1cc(N)c2c(OCC(NC(=O)c3cccc4c3OCCC4)C(C)C)cccc2n1.Cc1cc(O)cc(C(=O)NC(COc2cccc3nc(C)cc(N)c23)C(C)C)c1.Cc1cccc(C(=O)N2CCCC(COc3cccc4nc(C)cc(N)c34)C2)c1.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.
What is the InChIKey of N-[1-(4-amino-2-methylquinolin-5-yl)oxy-3-methylbutan-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide;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;[3-[(4-amino-2-methylquinolin-5-yl)oxymethyl]piperidin-1-yl]-(3-methylphenyl)methanone;hexakis(carbon dioxide);5-(2-methoxycyclohexyl)oxy-2-methylquinolin-4-amine;2-methyl-5-[[4-(2-pyridin-4-ylprop-2-enyl)cyclohexyl]methoxy]quinolin-4-amine?
The InChIKey is GYWYGUOCXOCZNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O3.C25H29N3O.C24H27N3O4.C24H27N3O2.C23H27N3O3.C17H22N2O2.6CO2/c1-15(2)21(28-25(29)18-9-4-7-17-8-6-12-30-24(17)18)14-31-22-11-5-10-20-23(22)19(26)13-16(3)27-20;1-17(21-10-12-27-13-11-21)14-19-6-8-20(9-7-19)16-29-24-5-3-4-23-25(24)22(26)15-18(2)28-23;1-14(2)19(27-24(28)16-7-8-20-22(12-16)30-10-9-29-20)13-31-21-6-4-5-18-23(21)17(25)11-15(3)26-18;1-16-6-3-8-19(12-16)24(28)27-11-5-7-18(14-27)15-29-22-10-4-9-21-23(22)20(25)13-17(2)26-21;1-13(2)20(26-23(28)16-8-14(3)9-17(27)11-16)12-29-21-7-5-6-19-22(21)18(24)10-15(4)25-19;1-11-10-12(18)17-13(19-11)6-5-9-16(17)21-15-8-4-3-7-14(15)20-2;6*2-1-3/h4-5,7,9-11,13,15,21H,6,8,12,14H2,1-3H3,(H2,26,27)(H,28,29);3-5,10-13,15,19-20H,1,6-9,14,16H2,2H3,(H2,26,28);4-8,11-12,14,19H,9-10,13H2,1-3H3,(H2,25,26)(H,27,28);3-4,6,8-10,12-13,18H,5,7,11,14-15H2,1-2H3,(H2,25,26);5-11,13,20,27H,12H2,1-4H3,(H2,24,25)(H,26,28);5-6,9-10,14-15H,3-4,7-8H2,1-2H3,(H2,18,19);;;;;;.
What are the key properties of N-[1-(4-amino-2-methylquinolin-5-yl)oxy-3-methylbutan-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide;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;[3-[(4-amino-2-methylquinolin-5-yl)oxymethyl]piperidin-1-yl]-(3-methylphenyl)methanone;hexakis(carbon dioxide);5-(2-methoxycyclohexyl)oxy-2-methylquinolin-4-amine;2-methyl-5-[[4-(2-pyridin-4-ylprop-2-enyl)cyclohexyl]methoxy]quinolin-4-amine?
N-[1-(4-amino-2-methylquinolin-5-yl)oxy-3-methylbutan-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide;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;[3-[(4-amino-2-methylquinolin-5-yl)oxymethyl]piperidin-1-yl]-(3-methylphenyl)methanone;hexakis(carbon dioxide);5-(2-methoxycyclohexyl)oxy-2-methylquinolin-4-amine;2-methyl-5-[[4-(2-pyridin-4-ylprop-2-enyl)cyclohexyl]methoxy]quinolin-4-amine has a molecular weight of 2561.96 g/mol, XLogP of 22.12, 31 rotatable bonds, 10 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-amino-2-methylquinolin-5-yl)oxy-3-methylbutan-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide;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;[3-[(4-amino-2-methylquinolin-5-yl)oxymethyl]piperidin-1-yl]-(3-methylphenyl)methanone;hexakis(carbon dioxide);5-(2-methoxycyclohexyl)oxy-2-methylquinolin-4-amine;2-methyl-5-[[4-(2-pyridin-4-ylprop-2-enyl)cyclohexyl]methoxy]quinolin-4-amine is sourced from PubChem (CID 158407603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).