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)

C125H141N15O26 — CID 157258207

IUPACN-[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)
SMILESCCC(COc1cccc2nc(C)cc(N)c12)NC(=O)c1ccc2c(c1)OCCO2.CCC(COc1cccc2nc(C)cc(N)c12)NC(=O)c1cccc(C)c1.CCCCOc1ccc(C(=O)NC(COc2cccc3nc(C)cc(N)c23)C(C)C)cc1OC.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
InChIInChI=1S/C27H35N3O4.C25H29N3O3.C23H25N3O4.C23H27N3O3.C22H25N3O2.5CO2/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;1-3-16(26-23(27)15-7-8-19-21(12-15)29-10-9-28-19)13-30-20-6-4-5-18-22(20)17(24)11-14(2)25-18;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;5*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);4-8,11-12,16H,3,9-10,13H2,1-2H3,(H2,24,25)(H,26,27);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);;;;;
InChIKeyAXDINAGLOOLXOT-UHFFFAOYSA-N
MW2269.58 g/mol
LogP17.99
Rot. Bonds35

About 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)

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) (PubChem CID 157258207) has the molecular formula C125H141N15O26 and a molecular weight of 2269.58 g/mol. Its IUPAC name is 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).

Molecular Properties

Compound NameN-[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)
PubChem CID157258207
Molecular FormulaC125H141N15O26
Molecular Weight2269.58 g/mol
Exact Mass2268.02
IUPAC NameN-[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)
SMILESCCC(COc1cccc2nc(C)cc(N)c12)NC(=O)c1ccc2c(c1)OCCO2.CCC(COc1cccc2nc(C)cc(N)c12)NC(=O)c1cccc(C)c1.CCCCOc1ccc(C(=O)NC(COc2cccc3nc(C)cc(N)c23)C(C)C)cc1OC.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
InChIInChI=1S/C27H35N3O4.C25H29N3O3.C23H25N3O4.C23H27N3O3.C22H25N3O2.5CO2/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;1-3-16(26-23(27)15-7-8-19-21(12-15)29-10-9-28-19)13-30-20-6-4-5-18-22(20)17(24)11-14(2)25-18;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;5*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);4-8,11-12,16H,3,9-10,13H2,1-2H3,(H2,24,25)(H,26,27);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);;;;;
InChIKeyAXDINAGLOOLXOT-UHFFFAOYSA-N
XLogP17.99
TPSA623.28 Ų
H-Bond Donors11
H-Bond Acceptors36
Rotatable Bonds35
Heavy Atoms166
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002269.58
LogP ≤ 517.99
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1036

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]-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) 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]-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)?
The IUPAC name of 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) is 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).
What is the SMILES notation for 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)?
The canonical SMILES for 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) is CCC(COc1cccc2nc(C)cc(N)c12)NC(=O)c1ccc2c(c1)OCCO2.CCC(COc1cccc2nc(C)cc(N)c12)NC(=O)c1cccc(C)c1.CCCCOc1ccc(C(=O)NC(COc2cccc3nc(C)cc(N)c23)C(C)C)cc1OC.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.
What is the InChIKey of 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)?
The InChIKey is AXDINAGLOOLXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N3O4.C25H29N3O3.C23H25N3O4.C23H27N3O3.C22H25N3O2.5CO2/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;1-3-16(26-23(27)15-7-8-19-21(12-15)29-10-9-28-19)13-30-20-6-4-5-18-22(20)17(24)11-14(2)25-18;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;5*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);4-8,11-12,16H,3,9-10,13H2,1-2H3,(H2,24,25)(H,26,27);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);;;;;.
What are the key properties of 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)?
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) has a molecular weight of 2269.58 g/mol, XLogP of 17.99, 35 rotatable bonds, 11 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 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) is sourced from PubChem (CID 157258207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).