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]-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;hexakis(carbon dioxide);5-(2-methoxycyclohexyl)oxy-2-methylquinolin-4-amine

C144H165N17O30 — CID 157265332

IUPACN-[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]-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;hexakis(carbon dioxide);5-(2-methoxycyclohexyl)oxy-2-methylquinolin-4-amine
SMILESCCC(COc1cccc2nc(C)cc(N)c12)NC(=O)c1cccc(C)c1.CCCCOc1ccc(C(=O)NC(COc2cccc3nc(C)cc(N)c23)C(C)C)cc1OC.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.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O
InChIInChI=1S/C27H35N3O4.C25H29N3O3.C24H27N3O4.C23H27N3O3.C22H25N3O2.C17H22N2O2.6CO2/c1-6-7-13-33-23-12-11-19(15-25(23)32-5)27(31)30-22(17(2)3)16-34-24-10-8-9-21-26(24)20(28)14-18(4)29-21;1-15(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;1-14(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;1-13(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;1-4-17(25-22(26)16-8-5-7-14(2)11-16)13-27-20-10-6-9-19-21(20)18(23)12-15(3)24-19;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/h8-12,14-15,17,22H,6-7,13,16H2,1-5H3,(H2,28,29)(H,30,31);4-5,7,9-11,13,15,21H,6,8,12,14H2,1-3H3,(H2,26,27)(H,28,29);4-8,11-12,14,19H,9-10,13H2,1-3H3,(H2,25,26)(H,27,28);5-11,13,20,27H,12H2,1-4H3,(H2,24,25)(H,26,28);5-12,17H,4,13H2,1-3H3,(H2,23,24)(H,25,26);5-6,9-10,14-15H,3-4,7-8H2,1-2H3,(H2,18,19);;;;;;
InChIKeyAXXSSKOCEZDTOJ-UHFFFAOYSA-N
MW2613.99 g/mol
LogP21.12
Rot. Bonds38

About 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]-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;hexakis(carbon dioxide);5-(2-methoxycyclohexyl)oxy-2-methylquinolin-4-amine

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]-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;hexakis(carbon dioxide);5-(2-methoxycyclohexyl)oxy-2-methylquinolin-4-amine (PubChem CID 157265332) has the molecular formula C144H165N17O30 and a molecular weight of 2613.99 g/mol. Its IUPAC name is 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]-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;hexakis(carbon dioxide);5-(2-methoxycyclohexyl)oxy-2-methylquinolin-4-amine.

Molecular Properties

Compound NameN-[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]-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;hexakis(carbon dioxide);5-(2-methoxycyclohexyl)oxy-2-methylquinolin-4-amine
PubChem CID157265332
Molecular FormulaC144H165N17O30
Molecular Weight2613.99 g/mol
Exact Mass2612.19
IUPAC NameN-[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]-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;hexakis(carbon dioxide);5-(2-methoxycyclohexyl)oxy-2-methylquinolin-4-amine
SMILESCCC(COc1cccc2nc(C)cc(N)c12)NC(=O)c1cccc(C)c1.CCCCOc1ccc(C(=O)NC(COc2cccc3nc(C)cc(N)c23)C(C)C)cc1OC.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.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O
InChIInChI=1S/C27H35N3O4.C25H29N3O3.C24H27N3O4.C23H27N3O3.C22H25N3O2.C17H22N2O2.6CO2/c1-6-7-13-33-23-12-11-19(15-25(23)32-5)27(31)30-22(17(2)3)16-34-24-10-8-9-21-26(24)20(28)14-18(4)29-21;1-15(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;1-14(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;1-13(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;1-4-17(25-22(26)16-8-5-7-14(2)11-16)13-27-20-10-6-9-19-21(20)18(23)12-15(3)24-19;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/h8-12,14-15,17,22H,6-7,13,16H2,1-5H3,(H2,28,29)(H,30,31);4-5,7,9-11,13,15,21H,6,8,12,14H2,1-3H3,(H2,26,27)(H,28,29);4-8,11-12,14,19H,9-10,13H2,1-3H3,(H2,25,26)(H,27,28);5-11,13,20,27H,12H2,1-4H3,(H2,24,25)(H,26,28);5-12,17H,4,13H2,1-3H3,(H2,23,24)(H,25,26);5-6,9-10,14-15H,3-4,7-8H2,1-2H3,(H2,18,19);;;;;;
InChIKeyAXXSSKOCEZDTOJ-UHFFFAOYSA-N
XLogP21.12
TPSA714.79 Ų
H-Bond Donors12
H-Bond Acceptors42
Rotatable Bonds38
Heavy Atoms191
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002613.99
LogP ≤ 521.12
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1042

Computed Properties (RDKit)

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

Analyze 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]-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;hexakis(carbon dioxide);5-(2-methoxycyclohexyl)oxy-2-methylquinolin-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)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]-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;hexakis(carbon dioxide);5-(2-methoxycyclohexyl)oxy-2-methylquinolin-4-amine?
The IUPAC name of 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]-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;hexakis(carbon dioxide);5-(2-methoxycyclohexyl)oxy-2-methylquinolin-4-amine (CID 157265332) is 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]-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;hexakis(carbon dioxide);5-(2-methoxycyclohexyl)oxy-2-methylquinolin-4-amine.
What is the SMILES notation for 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]-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;hexakis(carbon dioxide);5-(2-methoxycyclohexyl)oxy-2-methylquinolin-4-amine?
The canonical SMILES for 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]-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;hexakis(carbon dioxide);5-(2-methoxycyclohexyl)oxy-2-methylquinolin-4-amine is CCC(COc1cccc2nc(C)cc(N)c12)NC(=O)c1cccc(C)c1.CCCCOc1ccc(C(=O)NC(COc2cccc3nc(C)cc(N)c23)C(C)C)cc1OC.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.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)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]-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;hexakis(carbon dioxide);5-(2-methoxycyclohexyl)oxy-2-methylquinolin-4-amine?
The InChIKey is AXXSSKOCEZDTOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N3O4.C25H29N3O3.C24H27N3O4.C23H27N3O3.C22H25N3O2.C17H22N2O2.6CO2/c1-6-7-13-33-23-12-11-19(15-25(23)32-5)27(31)30-22(17(2)3)16-34-24-10-8-9-21-26(24)20(28)14-18(4)29-21;1-15(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;1-14(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;1-13(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;1-4-17(25-22(26)16-8-5-7-14(2)11-16)13-27-20-10-6-9-19-21(20)18(23)12-15(3)24-19;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/h8-12,14-15,17,22H,6-7,13,16H2,1-5H3,(H2,28,29)(H,30,31);4-5,7,9-11,13,15,21H,6,8,12,14H2,1-3H3,(H2,26,27)(H,28,29);4-8,11-12,14,19H,9-10,13H2,1-3H3,(H2,25,26)(H,27,28);5-11,13,20,27H,12H2,1-4H3,(H2,24,25)(H,26,28);5-12,17H,4,13H2,1-3H3,(H2,23,24)(H,25,26);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)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]-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;hexakis(carbon dioxide);5-(2-methoxycyclohexyl)oxy-2-methylquinolin-4-amine?
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]-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;hexakis(carbon dioxide);5-(2-methoxycyclohexyl)oxy-2-methylquinolin-4-amine has a molecular weight of 2613.99 g/mol, XLogP of 21.12, 38 rotatable bonds, 12 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 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]-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;hexakis(carbon dioxide);5-(2-methoxycyclohexyl)oxy-2-methylquinolin-4-amine is sourced from PubChem (CID 157265332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).