1-(4-amino-2-methylquinolin-5-yl)oxy-5-cyclobutyl-2,2-dimethylpentan-3-one;1-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]propan-1-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;1-[4-[(4-amino-2-methylquinolin-5-yl)oxymethyl]piperidin-1-yl]propan-1-one;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]heptanamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-2-piperidin-1-ylacetamide;1-(4-amino-2-methylquinolin-5-yl)oxy-2,2,6-trimethylheptan-3-one;octakis(carbon dioxide)

C170H224N20O32 — CID 159498199

IUPAC1-(4-amino-2-methylquinolin-5-yl)oxy-5-cyclobutyl-2,2-dimethylpentan-3-one;1-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]propan-1-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;1-[4-[(4-amino-2-methylquinolin-5-yl)oxymethyl]piperidin-1-yl]propan-1-one;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]heptanamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-2-piperidin-1-ylacetamide;1-(4-amino-2-methylquinolin-5-yl)oxy-2,2,6-trimethylheptan-3-one;octakis(carbon dioxide)
SMILESCCC(=O)C1CCC(Oc2cccc3nc(C)cc(N)c23)CC1.CCC(=O)N1CCC(COc2cccc3nc(C)cc(N)c23)CC1.CCC(CC)CC(=O)C(C)(C)COc1cccc2nc(C)cc(N)c12.CCCCCC(=O)C(C)(C)COc1cccc2nc(C)cc(N)c12.CCCCCCC(=O)NC(C)(C)COc1cccc2nc(C)cc(N)c12.Cc1cc(N)c2c(OCC(C)(C)C(=O)CCC(C)C)cccc2n1.Cc1cc(N)c2c(OCC(C)(C)C(=O)CCC3CCC3)cccc2n1.Cc1cc(N)c2c(OCC(C)(C)NC(=O)CN3CCCCC3)cccc2n1.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O
InChIInChI=1S/C21H30N4O2.C21H31N3O2.C21H28N2O2.C21H30N2O2.2C20H28N2O2.C19H25N3O2.C19H24N2O2.8CO2/c1-15-12-16(22)20-17(23-15)8-7-9-18(20)27-14-21(2,3)24-19(26)13-25-10-5-4-6-11-25;1-5-6-7-8-12-19(25)24-21(3,4)14-26-18-11-9-10-17-20(18)16(22)13-15(2)23-17;1-14-12-16(22)20-17(23-14)8-5-9-18(20)25-13-21(2,3)19(24)11-10-15-6-4-7-15;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(2)9-10-18(23)20(4,5)12-24-17-8-6-7-16-19(17)15(21)11-14(3)22-16;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;1-3-18(23)22-9-7-14(8-10-22)12-24-17-6-4-5-16-19(17)15(20)11-13(2)21-16;1-3-17(22)13-7-9-14(10-8-13)23-18-6-4-5-16-19(18)15(20)11-12(2)21-16;8*2-1-3/h7-9,12H,4-6,10-11,13-14H2,1-3H3,(H2,22,23)(H,24,26);9-11,13H,5-8,12,14H2,1-4H3,(H2,22,23)(H,24,25);5,8-9,12,15H,4,6-7,10-11,13H2,1-3H3,(H2,22,23);8-11,15H,6-7,12-13H2,1-5H3,(H2,22,23);6-8,11,13H,9-10,12H2,1-5H3,(H2,21,22);8-10,12H,5-7,11,13H2,1-4H3,(H2,21,22);4-6,11,14H,3,7-10,12H2,1-2H3,(H2,20,21);4-6,11,13-14H,3,7-10H2,1-2H3,(H2,20,21);;;;;;;;
InChIKeyLZAVAZBAMWGKTD-UHFFFAOYSA-N
MW3059.77 g/mol
LogP28.60
Rot. Bonds53

About 1-(4-amino-2-methylquinolin-5-yl)oxy-5-cyclobutyl-2,2-dimethylpentan-3-one;1-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]propan-1-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;1-[4-[(4-amino-2-methylquinolin-5-yl)oxymethyl]piperidin-1-yl]propan-1-one;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]heptanamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-2-piperidin-1-ylacetamide;1-(4-amino-2-methylquinolin-5-yl)oxy-2,2,6-trimethylheptan-3-one;octakis(carbon dioxide)

1-(4-amino-2-methylquinolin-5-yl)oxy-5-cyclobutyl-2,2-dimethylpentan-3-one;1-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]propan-1-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;1-[4-[(4-amino-2-methylquinolin-5-yl)oxymethyl]piperidin-1-yl]propan-1-one;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]heptanamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-2-piperidin-1-ylacetamide;1-(4-amino-2-methylquinolin-5-yl)oxy-2,2,6-trimethylheptan-3-one;octakis(carbon dioxide) (PubChem CID 159498199) has the molecular formula C170H224N20O32 and a molecular weight of 3059.77 g/mol. Its IUPAC name is 1-(4-amino-2-methylquinolin-5-yl)oxy-5-cyclobutyl-2,2-dimethylpentan-3-one;1-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]propan-1-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;1-[4-[(4-amino-2-methylquinolin-5-yl)oxymethyl]piperidin-1-yl]propan-1-one;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]heptanamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-2-piperidin-1-ylacetamide;1-(4-amino-2-methylquinolin-5-yl)oxy-2,2,6-trimethylheptan-3-one;octakis(carbon dioxide).

Molecular Properties

Compound Name1-(4-amino-2-methylquinolin-5-yl)oxy-5-cyclobutyl-2,2-dimethylpentan-3-one;1-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]propan-1-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;1-[4-[(4-amino-2-methylquinolin-5-yl)oxymethyl]piperidin-1-yl]propan-1-one;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]heptanamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-2-piperidin-1-ylacetamide;1-(4-amino-2-methylquinolin-5-yl)oxy-2,2,6-trimethylheptan-3-one;octakis(carbon dioxide)
PubChem CID159498199
Molecular FormulaC170H224N20O32
Molecular Weight3059.77 g/mol
Exact Mass3057.65
IUPAC Name1-(4-amino-2-methylquinolin-5-yl)oxy-5-cyclobutyl-2,2-dimethylpentan-3-one;1-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]propan-1-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;1-[4-[(4-amino-2-methylquinolin-5-yl)oxymethyl]piperidin-1-yl]propan-1-one;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]heptanamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-2-piperidin-1-ylacetamide;1-(4-amino-2-methylquinolin-5-yl)oxy-2,2,6-trimethylheptan-3-one;octakis(carbon dioxide)
SMILESCCC(=O)C1CCC(Oc2cccc3nc(C)cc(N)c23)CC1.CCC(=O)N1CCC(COc2cccc3nc(C)cc(N)c23)CC1.CCC(CC)CC(=O)C(C)(C)COc1cccc2nc(C)cc(N)c12.CCCCCC(=O)C(C)(C)COc1cccc2nc(C)cc(N)c12.CCCCCCC(=O)NC(C)(C)COc1cccc2nc(C)cc(N)c12.Cc1cc(N)c2c(OCC(C)(C)C(=O)CCC(C)C)cccc2n1.Cc1cc(N)c2c(OCC(C)(C)C(=O)CCC3CCC3)cccc2n1.Cc1cc(N)c2c(OCC(C)(C)NC(=O)CN3CCCCC3)cccc2n1.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O
InChIInChI=1S/C21H30N4O2.C21H31N3O2.C21H28N2O2.C21H30N2O2.2C20H28N2O2.C19H25N3O2.C19H24N2O2.8CO2/c1-15-12-16(22)20-17(23-15)8-7-9-18(20)27-14-21(2,3)24-19(26)13-25-10-5-4-6-11-25;1-5-6-7-8-12-19(25)24-21(3,4)14-26-18-11-9-10-17-20(18)16(22)13-15(2)23-17;1-14-12-16(22)20-17(23-14)8-5-9-18(20)25-13-21(2,3)19(24)11-10-15-6-4-7-15;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(2)9-10-18(23)20(4,5)12-24-17-8-6-7-16-19(17)15(21)11-14(3)22-16;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;1-3-18(23)22-9-7-14(8-10-22)12-24-17-6-4-5-16-19(17)15(20)11-13(2)21-16;1-3-17(22)13-7-9-14(10-8-13)23-18-6-4-5-16-19(18)15(20)11-12(2)21-16;8*2-1-3/h7-9,12H,4-6,10-11,13-14H2,1-3H3,(H2,22,23)(H,24,26);9-11,13H,5-8,12,14H2,1-4H3,(H2,22,23)(H,24,25);5,8-9,12,15H,4,6-7,10-11,13H2,1-3H3,(H2,22,23);8-11,15H,6-7,12-13H2,1-5H3,(H2,22,23);6-8,11,13H,9-10,12H2,1-5H3,(H2,21,22);8-10,12H,5-7,11,13H2,1-4H3,(H2,21,22);4-6,11,14H,3,7-10,12H2,1-2H3,(H2,20,21);4-6,11,13-14H,3,7-10H2,1-2H3,(H2,20,21);;;;;;;;
InChIKeyLZAVAZBAMWGKTD-UHFFFAOYSA-N
XLogP28.60
TPSA825.34 Ų
H-Bond Donors10
H-Bond Acceptors49
Rotatable Bonds53
Heavy Atoms222
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003059.77
LogP ≤ 528.60
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1049

Computed Properties (RDKit)

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

Analyze 1-(4-amino-2-methylquinolin-5-yl)oxy-5-cyclobutyl-2,2-dimethylpentan-3-one;1-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]propan-1-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;1-[4-[(4-amino-2-methylquinolin-5-yl)oxymethyl]piperidin-1-yl]propan-1-one;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]heptanamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-2-piperidin-1-ylacetamide;1-(4-amino-2-methylquinolin-5-yl)oxy-2,2,6-trimethylheptan-3-one;octakis(carbon dioxide) with MolForge

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Launch Full Analysis

Related Compounds

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
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;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;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]propanamide;1-[4-(4-amino-2-methylquinolin-5-yl)oxypiperidin-1-yl]-2-methylpropan-1-one;heptakis(carbon dioxide)
CID 160549682
4-(4-amino-2-methylquinolin-5-yl)oxy-1-cyclobutyl-3,3-dimethylbutan-2-one;N-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]-2-methylpropanamide;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]cyclohexanecarboxamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-methylbutanamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-2-methylpropanamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]propanamide;1-[4-(4-amino-2-methylquinolin-5-yl)oxypiperidin-1-yl]-2-methylpropan-1-one;octakis(carbon dioxide)
CID 158470521
1-[4-[(4-amino-2-methylquinolin-5-yl)oxymethyl]piperidin-1-yl]butan-1-one;[4-[(4-amino-2-methylquinolin-5-yl)oxymethyl]piperidin-1-yl]-(3-hydroxyphenyl)methanone;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]cyclohexanecarboxamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]cyclopentanecarboxamide;heptakis(carbon dioxide);5-cycloheptyloxy-2-methylquinolin-4-amine;5-cyclohexyloxy-2-methylquinolin-4-amine;methane;2-methyl-5-(3-phenoxypropoxy)quinolin-4-amine
CID 160541083
1-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]-3-methylbutan-1-one
CID 58460393
N-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]butanamide;bis(N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-4-methylcyclohexane-1-carboxamide);4-[(4-amino-2-methylquinolin-5-yl)oxymethyl]-N-propylcyclohexane-1-carboxamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxypropan-2-yl]-2-methoxyacetamide;pentakis(carbon dioxide)
CID 158824049
1-[4-[(4-amino-2-methylquinolin-5-yl)oxymethyl]piperidin-1-yl]-2-methylpropan-1-one
CID 58460342
N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]benzamide;heptakis(carbon dioxide);5-(cyclopentylmethoxy)-2-methylquinolin-4-amine;5-cyclopentyloxy-2-methylquinolin-4-amine;5-(3,3-dimethylbutyl)-2-methylquinolin-4-amine;5-(2-ethylbutoxy)-2-methylquinolin-4-amine;5-heptan-4-yloxy-2-methylquinolin-4-amine;2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-4-amine
CID 159792062
N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]cyclohexanecarboxamide
CID 58460358
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]-3-methylbenzamide;undecakis(carbon dioxide);5-(cyclopentylmethoxy)-2-methylquinolin-4-amine;5-cyclopentyloxy-2-methylquinolin-4-amine;5-(3,3-dimethylbutyl)-2-methylquinolin-4-amine;5-(2,2-dimethylpropoxy)-2-methylquinolin-4-amine;5-(2-ethylbutoxy)-2-methylquinolin-4-amine;5-heptan-4-yloxy-2-methylquinolin-4-amine;5-methoxy-2-methylquinolin-4-amine;2-methylquinolin-4-amine
CID 159211867
N-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]-2-(cyclobutylmethoxy)acetamide
CID 121442437
N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-2-ethylbutanamide
CID 58460379

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-2-methylquinolin-5-yl)oxy-5-cyclobutyl-2,2-dimethylpentan-3-one;1-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]propan-1-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;1-[4-[(4-amino-2-methylquinolin-5-yl)oxymethyl]piperidin-1-yl]propan-1-one;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]heptanamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-2-piperidin-1-ylacetamide;1-(4-amino-2-methylquinolin-5-yl)oxy-2,2,6-trimethylheptan-3-one;octakis(carbon dioxide)?
The IUPAC name of 1-(4-amino-2-methylquinolin-5-yl)oxy-5-cyclobutyl-2,2-dimethylpentan-3-one;1-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]propan-1-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;1-[4-[(4-amino-2-methylquinolin-5-yl)oxymethyl]piperidin-1-yl]propan-1-one;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]heptanamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-2-piperidin-1-ylacetamide;1-(4-amino-2-methylquinolin-5-yl)oxy-2,2,6-trimethylheptan-3-one;octakis(carbon dioxide) (CID 159498199) is 1-(4-amino-2-methylquinolin-5-yl)oxy-5-cyclobutyl-2,2-dimethylpentan-3-one;1-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]propan-1-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;1-[4-[(4-amino-2-methylquinolin-5-yl)oxymethyl]piperidin-1-yl]propan-1-one;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]heptanamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-2-piperidin-1-ylacetamide;1-(4-amino-2-methylquinolin-5-yl)oxy-2,2,6-trimethylheptan-3-one;octakis(carbon dioxide).
What is the SMILES notation for 1-(4-amino-2-methylquinolin-5-yl)oxy-5-cyclobutyl-2,2-dimethylpentan-3-one;1-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]propan-1-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;1-[4-[(4-amino-2-methylquinolin-5-yl)oxymethyl]piperidin-1-yl]propan-1-one;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]heptanamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-2-piperidin-1-ylacetamide;1-(4-amino-2-methylquinolin-5-yl)oxy-2,2,6-trimethylheptan-3-one;octakis(carbon dioxide)?
The canonical SMILES for 1-(4-amino-2-methylquinolin-5-yl)oxy-5-cyclobutyl-2,2-dimethylpentan-3-one;1-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]propan-1-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;1-[4-[(4-amino-2-methylquinolin-5-yl)oxymethyl]piperidin-1-yl]propan-1-one;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]heptanamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-2-piperidin-1-ylacetamide;1-(4-amino-2-methylquinolin-5-yl)oxy-2,2,6-trimethylheptan-3-one;octakis(carbon dioxide) is CCC(=O)C1CCC(Oc2cccc3nc(C)cc(N)c23)CC1.CCC(=O)N1CCC(COc2cccc3nc(C)cc(N)c23)CC1.CCC(CC)CC(=O)C(C)(C)COc1cccc2nc(C)cc(N)c12.CCCCCC(=O)C(C)(C)COc1cccc2nc(C)cc(N)c12.CCCCCCC(=O)NC(C)(C)COc1cccc2nc(C)cc(N)c12.Cc1cc(N)c2c(OCC(C)(C)C(=O)CCC(C)C)cccc2n1.Cc1cc(N)c2c(OCC(C)(C)C(=O)CCC3CCC3)cccc2n1.Cc1cc(N)c2c(OCC(C)(C)NC(=O)CN3CCCCC3)cccc2n1.O=C=O.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-cyclobutyl-2,2-dimethylpentan-3-one;1-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]propan-1-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;1-[4-[(4-amino-2-methylquinolin-5-yl)oxymethyl]piperidin-1-yl]propan-1-one;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]heptanamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-2-piperidin-1-ylacetamide;1-(4-amino-2-methylquinolin-5-yl)oxy-2,2,6-trimethylheptan-3-one;octakis(carbon dioxide)?
The InChIKey is LZAVAZBAMWGKTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O2.C21H31N3O2.C21H28N2O2.C21H30N2O2.2C20H28N2O2.C19H25N3O2.C19H24N2O2.8CO2/c1-15-12-16(22)20-17(23-15)8-7-9-18(20)27-14-21(2,3)24-19(26)13-25-10-5-4-6-11-25;1-5-6-7-8-12-19(25)24-21(3,4)14-26-18-11-9-10-17-20(18)16(22)13-15(2)23-17;1-14-12-16(22)20-17(23-14)8-5-9-18(20)25-13-21(2,3)19(24)11-10-15-6-4-7-15;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(2)9-10-18(23)20(4,5)12-24-17-8-6-7-16-19(17)15(21)11-14(3)22-16;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;1-3-18(23)22-9-7-14(8-10-22)12-24-17-6-4-5-16-19(17)15(20)11-13(2)21-16;1-3-17(22)13-7-9-14(10-8-13)23-18-6-4-5-16-19(18)15(20)11-12(2)21-16;8*2-1-3/h7-9,12H,4-6,10-11,13-14H2,1-3H3,(H2,22,23)(H,24,26);9-11,13H,5-8,12,14H2,1-4H3,(H2,22,23)(H,24,25);5,8-9,12,15H,4,6-7,10-11,13H2,1-3H3,(H2,22,23);8-11,15H,6-7,12-13H2,1-5H3,(H2,22,23);6-8,11,13H,9-10,12H2,1-5H3,(H2,21,22);8-10,12H,5-7,11,13H2,1-4H3,(H2,21,22);4-6,11,14H,3,7-10,12H2,1-2H3,(H2,20,21);4-6,11,13-14H,3,7-10H2,1-2H3,(H2,20,21);;;;;;;;.
What are the key properties of 1-(4-amino-2-methylquinolin-5-yl)oxy-5-cyclobutyl-2,2-dimethylpentan-3-one;1-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]propan-1-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;1-[4-[(4-amino-2-methylquinolin-5-yl)oxymethyl]piperidin-1-yl]propan-1-one;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]heptanamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-2-piperidin-1-ylacetamide;1-(4-amino-2-methylquinolin-5-yl)oxy-2,2,6-trimethylheptan-3-one;octakis(carbon dioxide)?
1-(4-amino-2-methylquinolin-5-yl)oxy-5-cyclobutyl-2,2-dimethylpentan-3-one;1-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]propan-1-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;1-[4-[(4-amino-2-methylquinolin-5-yl)oxymethyl]piperidin-1-yl]propan-1-one;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]heptanamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-2-piperidin-1-ylacetamide;1-(4-amino-2-methylquinolin-5-yl)oxy-2,2,6-trimethylheptan-3-one;octakis(carbon dioxide) has a molecular weight of 3059.77 g/mol, XLogP of 28.60, 53 rotatable bonds, 10 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-2-methylquinolin-5-yl)oxy-5-cyclobutyl-2,2-dimethylpentan-3-one;1-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]propan-1-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;1-[4-[(4-amino-2-methylquinolin-5-yl)oxymethyl]piperidin-1-yl]propan-1-one;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]heptanamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-2-piperidin-1-ylacetamide;1-(4-amino-2-methylquinolin-5-yl)oxy-2,2,6-trimethylheptan-3-one;octakis(carbon dioxide) is sourced from PubChem (CID 159498199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).