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)

C106H139N15O21 — CID 158824049

IUPACN-[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)
SMILESCCCC(=O)NC1CCC(Oc2cccc3nc(C)cc(N)c23)CC1.CCCNC(=O)C1CCC(COc2cccc3nc(C)cc(N)c23)CC1.COCC(=O)NC(C)COc1cccc2nc(C)cc(N)c12.Cc1cc(N)c2c(OCC(C)(C)NC(=O)C3CCC(C)CC3)cccc2n1.Cc1cc(N)c2c(OCC(C)(C)NC(=O)C3CCC(C)CC3)cccc2n1.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O
InChIInChI=1S/2C22H31N3O2.C21H29N3O2.C20H27N3O2.C16H21N3O3.5CO2/c2*1-14-8-10-16(11-9-14)21(26)25-22(3,4)13-27-19-7-5-6-18-20(19)17(23)12-15(2)24-18;1-3-11-23-21(25)16-9-7-15(8-10-16)13-26-19-6-4-5-18-20(19)17(22)12-14(2)24-18;1-3-5-19(24)23-14-8-10-15(11-9-14)25-18-7-4-6-17-20(18)16(21)12-13(2)22-17;1-10-7-12(17)16-13(18-10)5-4-6-14(16)22-8-11(2)19-15(20)9-21-3;5*2-1-3/h2*5-7,12,14,16H,8-11,13H2,1-4H3,(H2,23,24)(H,25,26);4-6,12,15-16H,3,7-11,13H2,1-2H3,(H2,22,24)(H,23,25);4,6-7,12,14-15H,3,5,8-11H2,1-2H3,(H2,21,22)(H,23,24);4-7,11H,8-9H2,1-3H3,(H2,17,18)(H,19,20);;;;;
InChIKeyIWFQELZUTOUTSZ-UHFFFAOYSA-N
MW1959.36 g/mol
LogP14.76
Rot. Bonds27

About 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)

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) (PubChem CID 158824049) has the molecular formula C106H139N15O21 and a molecular weight of 1959.36 g/mol. Its IUPAC name is 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).

Molecular Properties

Compound NameN-[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)
PubChem CID158824049
Molecular FormulaC106H139N15O21
Molecular Weight1959.36 g/mol
Exact Mass1958.03
IUPAC NameN-[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)
SMILESCCCC(=O)NC1CCC(Oc2cccc3nc(C)cc(N)c23)CC1.CCCNC(=O)C1CCC(COc2cccc3nc(C)cc(N)c23)CC1.COCC(=O)NC(C)COc1cccc2nc(C)cc(N)c12.Cc1cc(N)c2c(OCC(C)(C)NC(=O)C3CCC(C)CC3)cccc2n1.Cc1cc(N)c2c(OCC(C)(C)NC(=O)C3CCC(C)CC3)cccc2n1.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O
InChIInChI=1S/2C22H31N3O2.C21H29N3O2.C20H27N3O2.C16H21N3O3.5CO2/c2*1-14-8-10-16(11-9-14)21(26)25-22(3,4)13-27-19-7-5-6-18-20(19)17(23)12-15(2)24-18;1-3-11-23-21(25)16-9-7-15(8-10-16)13-26-19-6-4-5-18-20(19)17(22)12-14(2)24-18;1-3-5-19(24)23-14-8-10-15(11-9-14)25-18-7-4-6-17-20(18)16(21)12-13(2)22-17;1-10-7-12(17)16-13(18-10)5-4-6-14(16)22-8-11(2)19-15(20)9-21-3;5*2-1-3/h2*5-7,12,14,16H,8-11,13H2,1-4H3,(H2,23,24)(H,25,26);4-6,12,15-16H,3,7-11,13H2,1-2H3,(H2,22,24)(H,23,25);4,6-7,12,14-15H,3,5,8-11H2,1-2H3,(H2,21,22)(H,23,24);4-7,11H,8-9H2,1-3H3,(H2,17,18)(H,19,20);;;;;
InChIKeyIWFQELZUTOUTSZ-UHFFFAOYSA-N
XLogP14.76
TPSA566.13 Ų
H-Bond Donors10
H-Bond Acceptors31
Rotatable Bonds27
Heavy Atoms142
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001959.36
LogP ≤ 514.76
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1031

Analyze 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) with MolForge

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Related Compounds

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
N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]cyclohexanecarboxamide
CID 58460358
N-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]-2-propoxyacetamide
CID 121442417
N-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]cyclopentanecarboxamide;carbon dioxide
CID 161340075
N-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]-2-(cyclobutylmethoxy)acetamide
CID 121442437
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
N-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]-2-bromoacetamide
CID 121442457
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
N-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]-2-butoxyacetamide;N-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]-2-(cyclohexylmethoxy)acetamide;N-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]-2-(cyclopentylmethoxy)acetamide;N-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]-2-(2-methoxyethoxy)acetamide;N-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]-2-(2-phenylmethoxyethoxy)acetamide;N-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]-2-propoxyacetamide;hexakis(carbon dioxide)
CID 164954774
1-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]-3-methylbutan-1-one
CID 58460393
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
N-[4-(4-amino-2-ethylquinolin-5-yl)oxycyclohexyl]-2-ethoxyacetamide
CID 121442434

Frequently Asked Questions

What is the IUPAC name of 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)?
The IUPAC name of 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) is 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).
What is the SMILES notation for 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)?
The canonical SMILES for 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) is CCCC(=O)NC1CCC(Oc2cccc3nc(C)cc(N)c23)CC1.CCCNC(=O)C1CCC(COc2cccc3nc(C)cc(N)c23)CC1.COCC(=O)NC(C)COc1cccc2nc(C)cc(N)c12.Cc1cc(N)c2c(OCC(C)(C)NC(=O)C3CCC(C)CC3)cccc2n1.Cc1cc(N)c2c(OCC(C)(C)NC(=O)C3CCC(C)CC3)cccc2n1.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.
What is the InChIKey of 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)?
The InChIKey is IWFQELZUTOUTSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H31N3O2.C21H29N3O2.C20H27N3O2.C16H21N3O3.5CO2/c2*1-14-8-10-16(11-9-14)21(26)25-22(3,4)13-27-19-7-5-6-18-20(19)17(23)12-15(2)24-18;1-3-11-23-21(25)16-9-7-15(8-10-16)13-26-19-6-4-5-18-20(19)17(22)12-14(2)24-18;1-3-5-19(24)23-14-8-10-15(11-9-14)25-18-7-4-6-17-20(18)16(21)12-13(2)22-17;1-10-7-12(17)16-13(18-10)5-4-6-14(16)22-8-11(2)19-15(20)9-21-3;5*2-1-3/h2*5-7,12,14,16H,8-11,13H2,1-4H3,(H2,23,24)(H,25,26);4-6,12,15-16H,3,7-11,13H2,1-2H3,(H2,22,24)(H,23,25);4,6-7,12,14-15H,3,5,8-11H2,1-2H3,(H2,21,22)(H,23,24);4-7,11H,8-9H2,1-3H3,(H2,17,18)(H,19,20);;;;;.
What are the key properties of 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)?
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) has a molecular weight of 1959.36 g/mol, XLogP of 14.76, 27 rotatable bonds, 10 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 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) is sourced from PubChem (CID 158824049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).