1-(4-amino-2-methylquinolin-5-yl)oxy-5-cyclopropyl-2,2-dimethylpentan-3-one;1-(4-amino-2-methylquinolin-5-yl)oxy-2,2-dimethylhexan-3-one;1-(4-amino-2-methylquinolin-5-yl)oxy-2,2-dimethyloctan-3-one;1-(4-amino-2-methylquinolin-5-yl)oxy-5-ethyl-2,2-dimethylheptan-3-one;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]cyclobutanecarboxamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-2-cyclohexylacetamide;1-[4-(4-amino-2-methylquinolin-5-yl)oxypiperidin-1-yl]-2-methylpropan-1-one;heptakis(carbon dioxide)

C146H189N17O28 — CID 161279071

IUPAC1-(4-amino-2-methylquinolin-5-yl)oxy-5-cyclopropyl-2,2-dimethylpentan-3-one;1-(4-amino-2-methylquinolin-5-yl)oxy-2,2-dimethylhexan-3-one;1-(4-amino-2-methylquinolin-5-yl)oxy-2,2-dimethyloctan-3-one;1-(4-amino-2-methylquinolin-5-yl)oxy-5-ethyl-2,2-dimethylheptan-3-one;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]cyclobutanecarboxamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-2-cyclohexylacetamide;1-[4-(4-amino-2-methylquinolin-5-yl)oxypiperidin-1-yl]-2-methylpropan-1-one;heptakis(carbon dioxide)
SMILESCCC(CC)CC(=O)C(C)(C)COc1cccc2nc(C)cc(N)c12.CCCC(=O)C(C)(C)COc1cccc2nc(C)cc(N)c12.CCCCCC(=O)C(C)(C)COc1cccc2nc(C)cc(N)c12.Cc1cc(N)c2c(OC3CCN(C(=O)C(C)C)CC3)cccc2n1.Cc1cc(N)c2c(OCC(C)(C)C(=O)CCC3CC3)cccc2n1.Cc1cc(N)c2c(OCC(C)(C)NC(=O)C3CCC3)cccc2n1.Cc1cc(N)c2c(OCC(C)(C)NC(=O)CC3CCCCC3)cccc2n1.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O
InChIInChI=1S/C22H31N3O2.C21H30N2O2.C20H26N2O2.C20H28N2O2.2C19H25N3O2.C18H24N2O2.7CO2/c1-15-12-17(23)21-18(24-15)10-7-11-19(21)27-14-22(2,3)25-20(26)13-16-8-5-4-6-9-16;1-6-15(7-2)12-19(24)21(4,5)13-25-18-10-8-9-17-20(18)16(22)11-14(3)23-17;1-13-11-15(21)19-16(22-13)5-4-6-17(19)24-12-20(2,3)18(23)10-9-14-7-8-14;1-5-6-7-11-18(23)20(3,4)13-24-17-10-8-9-16-19(17)15(21)12-14(2)22-16;1-12-10-14(20)17-15(21-12)8-5-9-16(17)24-11-19(2,3)22-18(23)13-6-4-7-13;1-12(2)19(23)22-9-7-14(8-10-22)24-17-6-4-5-16-18(17)15(20)11-13(3)21-16;1-5-7-16(21)18(3,4)11-22-15-9-6-8-14-17(15)13(19)10-12(2)20-14;7*2-1-3/h7,10-12,16H,4-6,8-9,13-14H2,1-3H3,(H2,23,24)(H,25,26);8-11,15H,6-7,12-13H2,1-5H3,(H2,22,23);4-6,11,14H,7-10,12H2,1-3H3,(H2,21,22);8-10,12H,5-7,11,13H2,1-4H3,(H2,21,22);5,8-10,13H,4,6-7,11H2,1-3H3,(H2,20,21)(H,22,23);4-6,11-12,14H,7-10H2,1-3H3,(H2,20,21);6,8-10H,5,7,11H2,1-4H3,(H2,19,20);;;;;;;
InChIKeyVEVIVJOTEWEUFN-UHFFFAOYSA-N
MW2630.21 g/mol
LogP24.43
Rot. Bonds43

About 1-(4-amino-2-methylquinolin-5-yl)oxy-5-cyclopropyl-2,2-dimethylpentan-3-one;1-(4-amino-2-methylquinolin-5-yl)oxy-2,2-dimethylhexan-3-one;1-(4-amino-2-methylquinolin-5-yl)oxy-2,2-dimethyloctan-3-one;1-(4-amino-2-methylquinolin-5-yl)oxy-5-ethyl-2,2-dimethylheptan-3-one;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]cyclobutanecarboxamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-2-cyclohexylacetamide;1-[4-(4-amino-2-methylquinolin-5-yl)oxypiperidin-1-yl]-2-methylpropan-1-one;heptakis(carbon dioxide)

1-(4-amino-2-methylquinolin-5-yl)oxy-5-cyclopropyl-2,2-dimethylpentan-3-one;1-(4-amino-2-methylquinolin-5-yl)oxy-2,2-dimethylhexan-3-one;1-(4-amino-2-methylquinolin-5-yl)oxy-2,2-dimethyloctan-3-one;1-(4-amino-2-methylquinolin-5-yl)oxy-5-ethyl-2,2-dimethylheptan-3-one;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]cyclobutanecarboxamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-2-cyclohexylacetamide;1-[4-(4-amino-2-methylquinolin-5-yl)oxypiperidin-1-yl]-2-methylpropan-1-one;heptakis(carbon dioxide) (PubChem CID 161279071) has the molecular formula C146H189N17O28 and a molecular weight of 2630.21 g/mol. Its IUPAC name is 1-(4-amino-2-methylquinolin-5-yl)oxy-5-cyclopropyl-2,2-dimethylpentan-3-one;1-(4-amino-2-methylquinolin-5-yl)oxy-2,2-dimethylhexan-3-one;1-(4-amino-2-methylquinolin-5-yl)oxy-2,2-dimethyloctan-3-one;1-(4-amino-2-methylquinolin-5-yl)oxy-5-ethyl-2,2-dimethylheptan-3-one;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]cyclobutanecarboxamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-2-cyclohexylacetamide;1-[4-(4-amino-2-methylquinolin-5-yl)oxypiperidin-1-yl]-2-methylpropan-1-one;heptakis(carbon dioxide).

Molecular Properties

Compound Name1-(4-amino-2-methylquinolin-5-yl)oxy-5-cyclopropyl-2,2-dimethylpentan-3-one;1-(4-amino-2-methylquinolin-5-yl)oxy-2,2-dimethylhexan-3-one;1-(4-amino-2-methylquinolin-5-yl)oxy-2,2-dimethyloctan-3-one;1-(4-amino-2-methylquinolin-5-yl)oxy-5-ethyl-2,2-dimethylheptan-3-one;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]cyclobutanecarboxamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-2-cyclohexylacetamide;1-[4-(4-amino-2-methylquinolin-5-yl)oxypiperidin-1-yl]-2-methylpropan-1-one;heptakis(carbon dioxide)
PubChem CID161279071
Molecular FormulaC146H189N17O28
Molecular Weight2630.21 g/mol
Exact Mass2628.39
IUPAC Name1-(4-amino-2-methylquinolin-5-yl)oxy-5-cyclopropyl-2,2-dimethylpentan-3-one;1-(4-amino-2-methylquinolin-5-yl)oxy-2,2-dimethylhexan-3-one;1-(4-amino-2-methylquinolin-5-yl)oxy-2,2-dimethyloctan-3-one;1-(4-amino-2-methylquinolin-5-yl)oxy-5-ethyl-2,2-dimethylheptan-3-one;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]cyclobutanecarboxamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-2-cyclohexylacetamide;1-[4-(4-amino-2-methylquinolin-5-yl)oxypiperidin-1-yl]-2-methylpropan-1-one;heptakis(carbon dioxide)
SMILESCCC(CC)CC(=O)C(C)(C)COc1cccc2nc(C)cc(N)c12.CCCC(=O)C(C)(C)COc1cccc2nc(C)cc(N)c12.CCCCCC(=O)C(C)(C)COc1cccc2nc(C)cc(N)c12.Cc1cc(N)c2c(OC3CCN(C(=O)C(C)C)CC3)cccc2n1.Cc1cc(N)c2c(OCC(C)(C)C(=O)CCC3CC3)cccc2n1.Cc1cc(N)c2c(OCC(C)(C)NC(=O)C3CCC3)cccc2n1.Cc1cc(N)c2c(OCC(C)(C)NC(=O)CC3CCCCC3)cccc2n1.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O
InChIInChI=1S/C22H31N3O2.C21H30N2O2.C20H26N2O2.C20H28N2O2.2C19H25N3O2.C18H24N2O2.7CO2/c1-15-12-17(23)21-18(24-15)10-7-11-19(21)27-14-22(2,3)25-20(26)13-16-8-5-4-6-9-16;1-6-15(7-2)12-19(24)21(4,5)13-25-18-10-8-9-17-20(18)16(22)11-14(3)23-17;1-13-11-15(21)19-16(22-13)5-4-6-17(19)24-12-20(2,3)18(23)10-9-14-7-8-14;1-5-6-7-11-18(23)20(3,4)13-24-17-10-8-9-16-19(17)15(21)12-14(2)22-16;1-12-10-14(20)17-15(21-12)8-5-9-16(17)24-11-19(2,3)22-18(23)13-6-4-7-13;1-12(2)19(23)22-9-7-14(8-10-22)24-17-6-4-5-16-18(17)15(20)11-13(3)21-16;1-5-7-16(21)18(3,4)11-22-15-9-6-8-14-17(15)13(19)10-12(2)20-14;7*2-1-3/h7,10-12,16H,4-6,8-9,13-14H2,1-3H3,(H2,23,24)(H,25,26);8-11,15H,6-7,12-13H2,1-5H3,(H2,22,23);4-6,11,14H,7-10,12H2,1-3H3,(H2,21,22);8-10,12H,5-7,11,13H2,1-4H3,(H2,21,22);5,8-10,13H,4,6-7,11H2,1-3H3,(H2,20,21)(H,22,23);4-6,11-12,14H,7-10H2,1-3H3,(H2,20,21);6,8-10H,5,7,11H2,1-4H3,(H2,19,20);;;;;;;
InChIKeyVEVIVJOTEWEUFN-UHFFFAOYSA-N
XLogP24.43
TPSA722.75 Ų
H-Bond Donors9
H-Bond Acceptors42
Rotatable Bonds43
Heavy Atoms191
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002630.21
LogP ≤ 524.43
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1042

Computed Properties (RDKit)

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

Analyze 1-(4-amino-2-methylquinolin-5-yl)oxy-5-cyclopropyl-2,2-dimethylpentan-3-one;1-(4-amino-2-methylquinolin-5-yl)oxy-2,2-dimethylhexan-3-one;1-(4-amino-2-methylquinolin-5-yl)oxy-2,2-dimethyloctan-3-one;1-(4-amino-2-methylquinolin-5-yl)oxy-5-ethyl-2,2-dimethylheptan-3-one;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]cyclobutanecarboxamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-2-cyclohexylacetamide;1-[4-(4-amino-2-methylquinolin-5-yl)oxypiperidin-1-yl]-2-methylpropan-1-one;heptakis(carbon dioxide) with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-2-methylquinolin-5-yl)oxy-5-cyclopropyl-2,2-dimethylpentan-3-one;1-(4-amino-2-methylquinolin-5-yl)oxy-2,2-dimethylhexan-3-one;1-(4-amino-2-methylquinolin-5-yl)oxy-2,2-dimethyloctan-3-one;1-(4-amino-2-methylquinolin-5-yl)oxy-5-ethyl-2,2-dimethylheptan-3-one;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]cyclobutanecarboxamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-2-cyclohexylacetamide;1-[4-(4-amino-2-methylquinolin-5-yl)oxypiperidin-1-yl]-2-methylpropan-1-one;heptakis(carbon dioxide)?
The IUPAC name of 1-(4-amino-2-methylquinolin-5-yl)oxy-5-cyclopropyl-2,2-dimethylpentan-3-one;1-(4-amino-2-methylquinolin-5-yl)oxy-2,2-dimethylhexan-3-one;1-(4-amino-2-methylquinolin-5-yl)oxy-2,2-dimethyloctan-3-one;1-(4-amino-2-methylquinolin-5-yl)oxy-5-ethyl-2,2-dimethylheptan-3-one;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]cyclobutanecarboxamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-2-cyclohexylacetamide;1-[4-(4-amino-2-methylquinolin-5-yl)oxypiperidin-1-yl]-2-methylpropan-1-one;heptakis(carbon dioxide) (CID 161279071) is 1-(4-amino-2-methylquinolin-5-yl)oxy-5-cyclopropyl-2,2-dimethylpentan-3-one;1-(4-amino-2-methylquinolin-5-yl)oxy-2,2-dimethylhexan-3-one;1-(4-amino-2-methylquinolin-5-yl)oxy-2,2-dimethyloctan-3-one;1-(4-amino-2-methylquinolin-5-yl)oxy-5-ethyl-2,2-dimethylheptan-3-one;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]cyclobutanecarboxamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-2-cyclohexylacetamide;1-[4-(4-amino-2-methylquinolin-5-yl)oxypiperidin-1-yl]-2-methylpropan-1-one;heptakis(carbon dioxide).
What is the SMILES notation for 1-(4-amino-2-methylquinolin-5-yl)oxy-5-cyclopropyl-2,2-dimethylpentan-3-one;1-(4-amino-2-methylquinolin-5-yl)oxy-2,2-dimethylhexan-3-one;1-(4-amino-2-methylquinolin-5-yl)oxy-2,2-dimethyloctan-3-one;1-(4-amino-2-methylquinolin-5-yl)oxy-5-ethyl-2,2-dimethylheptan-3-one;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]cyclobutanecarboxamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-2-cyclohexylacetamide;1-[4-(4-amino-2-methylquinolin-5-yl)oxypiperidin-1-yl]-2-methylpropan-1-one;heptakis(carbon dioxide)?
The canonical SMILES for 1-(4-amino-2-methylquinolin-5-yl)oxy-5-cyclopropyl-2,2-dimethylpentan-3-one;1-(4-amino-2-methylquinolin-5-yl)oxy-2,2-dimethylhexan-3-one;1-(4-amino-2-methylquinolin-5-yl)oxy-2,2-dimethyloctan-3-one;1-(4-amino-2-methylquinolin-5-yl)oxy-5-ethyl-2,2-dimethylheptan-3-one;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]cyclobutanecarboxamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-2-cyclohexylacetamide;1-[4-(4-amino-2-methylquinolin-5-yl)oxypiperidin-1-yl]-2-methylpropan-1-one;heptakis(carbon dioxide) is CCC(CC)CC(=O)C(C)(C)COc1cccc2nc(C)cc(N)c12.CCCC(=O)C(C)(C)COc1cccc2nc(C)cc(N)c12.CCCCCC(=O)C(C)(C)COc1cccc2nc(C)cc(N)c12.Cc1cc(N)c2c(OC3CCN(C(=O)C(C)C)CC3)cccc2n1.Cc1cc(N)c2c(OCC(C)(C)C(=O)CCC3CC3)cccc2n1.Cc1cc(N)c2c(OCC(C)(C)NC(=O)C3CCC3)cccc2n1.Cc1cc(N)c2c(OCC(C)(C)NC(=O)CC3CCCCC3)cccc2n1.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-5-cyclopropyl-2,2-dimethylpentan-3-one;1-(4-amino-2-methylquinolin-5-yl)oxy-2,2-dimethylhexan-3-one;1-(4-amino-2-methylquinolin-5-yl)oxy-2,2-dimethyloctan-3-one;1-(4-amino-2-methylquinolin-5-yl)oxy-5-ethyl-2,2-dimethylheptan-3-one;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]cyclobutanecarboxamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-2-cyclohexylacetamide;1-[4-(4-amino-2-methylquinolin-5-yl)oxypiperidin-1-yl]-2-methylpropan-1-one;heptakis(carbon dioxide)?
The InChIKey is VEVIVJOTEWEUFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O2.C21H30N2O2.C20H26N2O2.C20H28N2O2.2C19H25N3O2.C18H24N2O2.7CO2/c1-15-12-17(23)21-18(24-15)10-7-11-19(21)27-14-22(2,3)25-20(26)13-16-8-5-4-6-9-16;1-6-15(7-2)12-19(24)21(4,5)13-25-18-10-8-9-17-20(18)16(22)11-14(3)23-17;1-13-11-15(21)19-16(22-13)5-4-6-17(19)24-12-20(2,3)18(23)10-9-14-7-8-14;1-5-6-7-11-18(23)20(3,4)13-24-17-10-8-9-16-19(17)15(21)12-14(2)22-16;1-12-10-14(20)17-15(21-12)8-5-9-16(17)24-11-19(2,3)22-18(23)13-6-4-7-13;1-12(2)19(23)22-9-7-14(8-10-22)24-17-6-4-5-16-18(17)15(20)11-13(3)21-16;1-5-7-16(21)18(3,4)11-22-15-9-6-8-14-17(15)13(19)10-12(2)20-14;7*2-1-3/h7,10-12,16H,4-6,8-9,13-14H2,1-3H3,(H2,23,24)(H,25,26);8-11,15H,6-7,12-13H2,1-5H3,(H2,22,23);4-6,11,14H,7-10,12H2,1-3H3,(H2,21,22);8-10,12H,5-7,11,13H2,1-4H3,(H2,21,22);5,8-10,13H,4,6-7,11H2,1-3H3,(H2,20,21)(H,22,23);4-6,11-12,14H,7-10H2,1-3H3,(H2,20,21);6,8-10H,5,7,11H2,1-4H3,(H2,19,20);;;;;;;.
What are the key properties of 1-(4-amino-2-methylquinolin-5-yl)oxy-5-cyclopropyl-2,2-dimethylpentan-3-one;1-(4-amino-2-methylquinolin-5-yl)oxy-2,2-dimethylhexan-3-one;1-(4-amino-2-methylquinolin-5-yl)oxy-2,2-dimethyloctan-3-one;1-(4-amino-2-methylquinolin-5-yl)oxy-5-ethyl-2,2-dimethylheptan-3-one;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]cyclobutanecarboxamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-2-cyclohexylacetamide;1-[4-(4-amino-2-methylquinolin-5-yl)oxypiperidin-1-yl]-2-methylpropan-1-one;heptakis(carbon dioxide)?
1-(4-amino-2-methylquinolin-5-yl)oxy-5-cyclopropyl-2,2-dimethylpentan-3-one;1-(4-amino-2-methylquinolin-5-yl)oxy-2,2-dimethylhexan-3-one;1-(4-amino-2-methylquinolin-5-yl)oxy-2,2-dimethyloctan-3-one;1-(4-amino-2-methylquinolin-5-yl)oxy-5-ethyl-2,2-dimethylheptan-3-one;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]cyclobutanecarboxamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-2-cyclohexylacetamide;1-[4-(4-amino-2-methylquinolin-5-yl)oxypiperidin-1-yl]-2-methylpropan-1-one;heptakis(carbon dioxide) has a molecular weight of 2630.21 g/mol, XLogP of 24.43, 43 rotatable bonds, 9 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-2-methylquinolin-5-yl)oxy-5-cyclopropyl-2,2-dimethylpentan-3-one;1-(4-amino-2-methylquinolin-5-yl)oxy-2,2-dimethylhexan-3-one;1-(4-amino-2-methylquinolin-5-yl)oxy-2,2-dimethyloctan-3-one;1-(4-amino-2-methylquinolin-5-yl)oxy-5-ethyl-2,2-dimethylheptan-3-one;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]cyclobutanecarboxamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-2-cyclohexylacetamide;1-[4-(4-amino-2-methylquinolin-5-yl)oxypiperidin-1-yl]-2-methylpropan-1-one;heptakis(carbon dioxide) is sourced from PubChem (CID 161279071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).