N-[1-(4-amino-2-methylquinolin-5-yl)oxybutan-2-yl]-4-butoxy-3-methoxybenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxybutan-2-yl]-3,4-dihydro-2H-chromene-8-carboxamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxybutan-2-yl]-2-hydroxybenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxybutan-2-yl]-3-methoxy-4-propoxybenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-3-methylbutan-2-yl]-3-methylbenzamide;pentakis(carbon dioxide)

C124H141N15O26 — CID 158377363

IUPACN-[1-(4-amino-2-methylquinolin-5-yl)oxybutan-2-yl]-4-butoxy-3-methoxybenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxybutan-2-yl]-3,4-dihydro-2H-chromene-8-carboxamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxybutan-2-yl]-2-hydroxybenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxybutan-2-yl]-3-methoxy-4-propoxybenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-3-methylbutan-2-yl]-3-methylbenzamide;pentakis(carbon dioxide)
SMILESCCC(COc1cccc2nc(C)cc(N)c12)NC(=O)c1cccc2c1OCCC2.CCC(COc1cccc2nc(C)cc(N)c12)NC(=O)c1ccccc1O.CCCCOc1ccc(C(=O)NC(CC)COc2cccc3nc(C)cc(N)c23)cc1OC.CCCOc1ccc(C(=O)NC(CC)COc2cccc3nc(C)cc(N)c23)cc1OC.Cc1cccc(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/C26H33N3O4.C25H31N3O4.C24H27N3O3.C23H27N3O2.C21H23N3O3.5CO2/c1-5-7-13-32-22-12-11-18(15-24(22)31-4)26(30)29-19(6-2)16-33-23-10-8-9-21-25(23)20(27)14-17(3)28-21;1-5-12-31-21-11-10-17(14-23(21)30-4)25(29)28-18(6-2)15-32-22-9-7-8-20-24(22)19(26)13-16(3)27-20;1-3-17(27-24(28)18-9-4-7-16-8-6-12-29-23(16)18)14-30-21-11-5-10-20-22(21)19(25)13-15(2)26-20;1-14(2)20(26-23(27)17-8-5-7-15(3)11-17)13-28-21-10-6-9-19-22(21)18(24)12-16(4)25-19;1-3-14(24-21(26)15-7-4-5-9-18(15)25)12-27-19-10-6-8-17-20(19)16(22)11-13(2)23-17;5*2-1-3/h8-12,14-15,19H,5-7,13,16H2,1-4H3,(H2,27,28)(H,29,30);7-11,13-14,18H,5-6,12,15H2,1-4H3,(H2,26,27)(H,28,29);4-5,7,9-11,13,17H,3,6,8,12,14H2,1-2H3,(H2,25,26)(H,27,28);5-12,14,20H,13H2,1-4H3,(H2,24,25)(H,26,27);4-11,14,25H,3,12H2,1-2H3,(H2,22,23)(H,24,26);;;;;
InChIKeyGVJCXDZSQQHFSB-UHFFFAOYSA-N
MW2257.57 g/mol
LogP18.22
Rot. Bonds39

About N-[1-(4-amino-2-methylquinolin-5-yl)oxybutan-2-yl]-4-butoxy-3-methoxybenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxybutan-2-yl]-3,4-dihydro-2H-chromene-8-carboxamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxybutan-2-yl]-2-hydroxybenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxybutan-2-yl]-3-methoxy-4-propoxybenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-3-methylbutan-2-yl]-3-methylbenzamide;pentakis(carbon dioxide)

N-[1-(4-amino-2-methylquinolin-5-yl)oxybutan-2-yl]-4-butoxy-3-methoxybenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxybutan-2-yl]-3,4-dihydro-2H-chromene-8-carboxamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxybutan-2-yl]-2-hydroxybenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxybutan-2-yl]-3-methoxy-4-propoxybenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-3-methylbutan-2-yl]-3-methylbenzamide;pentakis(carbon dioxide) (PubChem CID 158377363) has the molecular formula C124H141N15O26 and a molecular weight of 2257.57 g/mol. Its IUPAC name is N-[1-(4-amino-2-methylquinolin-5-yl)oxybutan-2-yl]-4-butoxy-3-methoxybenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxybutan-2-yl]-3,4-dihydro-2H-chromene-8-carboxamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxybutan-2-yl]-2-hydroxybenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxybutan-2-yl]-3-methoxy-4-propoxybenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-3-methylbutan-2-yl]-3-methylbenzamide;pentakis(carbon dioxide).

Molecular Properties

Compound NameN-[1-(4-amino-2-methylquinolin-5-yl)oxybutan-2-yl]-4-butoxy-3-methoxybenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxybutan-2-yl]-3,4-dihydro-2H-chromene-8-carboxamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxybutan-2-yl]-2-hydroxybenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxybutan-2-yl]-3-methoxy-4-propoxybenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-3-methylbutan-2-yl]-3-methylbenzamide;pentakis(carbon dioxide)
PubChem CID158377363
Molecular FormulaC124H141N15O26
Molecular Weight2257.57 g/mol
Exact Mass2256.02
IUPAC NameN-[1-(4-amino-2-methylquinolin-5-yl)oxybutan-2-yl]-4-butoxy-3-methoxybenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxybutan-2-yl]-3,4-dihydro-2H-chromene-8-carboxamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxybutan-2-yl]-2-hydroxybenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxybutan-2-yl]-3-methoxy-4-propoxybenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-3-methylbutan-2-yl]-3-methylbenzamide;pentakis(carbon dioxide)
SMILESCCC(COc1cccc2nc(C)cc(N)c12)NC(=O)c1cccc2c1OCCC2.CCC(COc1cccc2nc(C)cc(N)c12)NC(=O)c1ccccc1O.CCCCOc1ccc(C(=O)NC(CC)COc2cccc3nc(C)cc(N)c23)cc1OC.CCCOc1ccc(C(=O)NC(CC)COc2cccc3nc(C)cc(N)c23)cc1OC.Cc1cccc(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/C26H33N3O4.C25H31N3O4.C24H27N3O3.C23H27N3O2.C21H23N3O3.5CO2/c1-5-7-13-32-22-12-11-18(15-24(22)31-4)26(30)29-19(6-2)16-33-23-10-8-9-21-25(23)20(27)14-17(3)28-21;1-5-12-31-21-11-10-17(14-23(21)30-4)25(29)28-18(6-2)15-32-22-9-7-8-20-24(22)19(26)13-16(3)27-20;1-3-17(27-24(28)18-9-4-7-16-8-6-12-29-23(16)18)14-30-21-11-5-10-20-22(21)19(25)13-15(2)26-20;1-14(2)20(26-23(27)17-8-5-7-15(3)11-17)13-28-21-10-6-9-19-22(21)18(24)12-16(4)25-19;1-3-14(24-21(26)15-7-4-5-9-18(15)25)12-27-19-10-6-8-17-20(19)16(22)11-13(2)23-17;5*2-1-3/h8-12,14-15,19H,5-7,13,16H2,1-4H3,(H2,27,28)(H,29,30);7-11,13-14,18H,5-6,12,15H2,1-4H3,(H2,26,27)(H,28,29);4-5,7,9-11,13,17H,3,6,8,12,14H2,1-2H3,(H2,25,26)(H,27,28);5-12,14,20H,13H2,1-4H3,(H2,24,25)(H,26,27);4-11,14,25H,3,12H2,1-2H3,(H2,22,23)(H,24,26);;;;;
InChIKeyGVJCXDZSQQHFSB-UHFFFAOYSA-N
XLogP18.22
TPSA623.28 Ų
H-Bond Donors11
H-Bond Acceptors36
Rotatable Bonds39
Heavy Atoms165
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002257.57
LogP ≤ 518.22
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]-4-butoxy-3-methoxybenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxybutan-2-yl]-3,4-dihydro-2H-chromene-8-carboxamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxybutan-2-yl]-2-hydroxybenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxybutan-2-yl]-3-methoxy-4-propoxybenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-3-methylbutan-2-yl]-3-methylbenzamide;pentakis(carbon dioxide) with MolForge

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Launch Full Analysis

Related Compounds

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-hydroxy-5-methylbenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxybutan-2-yl]-3-methylbenzamide;bis(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-hydroxy-5-methylbenzamide;hexakis(carbon dioxide)
CID 160622282
N-[1-(4-amino-2-methylquinolin-5-yl)oxybutan-2-yl]-4-butoxy-3-methoxybenzamide;bis(N-[1-(4-amino-2-methylquinolin-5-yl)oxybutan-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide);bis(N-[1-(4-amino-2-methylquinolin-5-yl)oxybutan-2-yl]-3-hydroxy-5-methylbenzamide);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;heptakis(carbon dioxide)
CID 161376613
N-[1-(4-amino-2-methylquinolin-5-yl)oxybutan-2-yl]-4-butoxy-3-methoxybenzamide;carbon dioxide
CID 123502778
N-[1-(4-amino-2-methylquinolin-5-yl)oxybutan-2-yl]-4-butyl-3-methoxybenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxybutan-2-yl]-2-hydroxybenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-3-methylbutan-2-yl]-2-hydroxybenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-3-methylbutan-2-yl]-3-methylbenzamide;1-[2-[(4-amino-2-methylquinolin-5-yl)oxymethyl]pyrrolidin-1-yl]ethanone;1-[2-[(4-amino-2-methylquinolin-5-yl)oxymethyl]pyrrolidin-1-yl]-2-methylpropan-1-one;hexakis(carbon dioxide);methane
CID 158934909
N-[1-(4-amino-2-methylquinolin-5-yl)oxy-3-methylbutan-2-yl]-3,4-dihydro-2H-chromene-7-carboxamide
CID 174193589
N-[1-(4-amino-2-methylquinolin-5-yl)oxybutan-2-yl]-4-butyl-3-methoxybenzamide;carbon dioxide
CID 123812005
N-[1-(4-amino-2-methylquinolin-5-yl)oxypropan-2-yl]-3-butoxy-4-methoxybenzamide;carbon dioxide
CID 123835407
N-[(2S)-1-(4-amino-2-methylquinolin-5-yl)oxybutan-2-yl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 58460483
N-[(2S)-1-(4-amino-2-methylquinolin-5-yl)oxybutan-2-yl]-3-hydroxybenzamide
CID 58460428
N-[1-(4-amino-2-methylquinolin-5-yl)oxypropan-2-yl]-3-methylbenzamide;carbon dioxide
CID 123575535
N-[1-(4-amino-2-methylquinolin-5-yl)oxy-3-methylbutan-2-yl]-2-hydroxybenzamide;[2-[(4-amino-2-methylquinolin-5-yl)oxymethyl]pyrrolidin-1-yl]-cyclohexylmethanone;1-[2-[(4-amino-2-methylquinolin-5-yl)oxymethyl]pyrrolidin-1-yl]ethanone;1-[2-[(4-amino-2-methylquinolin-5-yl)oxymethyl]pyrrolidin-1-yl]-2-methylpropan-1-one;N-[1-(4-amino-2-methylquinolin-5-yl)oxypropan-2-yl]-3-methylbenzamide;pentakis(carbon dioxide)
CID 159608753
N-[1-(4-amino-2-methylquinolin-5-yl)oxypropan-2-yl]-4-(2-hydroxyethoxy)-3-methoxybenzamide
CID 58460441

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-amino-2-methylquinolin-5-yl)oxybutan-2-yl]-4-butoxy-3-methoxybenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxybutan-2-yl]-3,4-dihydro-2H-chromene-8-carboxamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxybutan-2-yl]-2-hydroxybenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxybutan-2-yl]-3-methoxy-4-propoxybenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-3-methylbutan-2-yl]-3-methylbenzamide;pentakis(carbon dioxide)?
The IUPAC name of N-[1-(4-amino-2-methylquinolin-5-yl)oxybutan-2-yl]-4-butoxy-3-methoxybenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxybutan-2-yl]-3,4-dihydro-2H-chromene-8-carboxamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxybutan-2-yl]-2-hydroxybenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxybutan-2-yl]-3-methoxy-4-propoxybenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-3-methylbutan-2-yl]-3-methylbenzamide;pentakis(carbon dioxide) (CID 158377363) is N-[1-(4-amino-2-methylquinolin-5-yl)oxybutan-2-yl]-4-butoxy-3-methoxybenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxybutan-2-yl]-3,4-dihydro-2H-chromene-8-carboxamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxybutan-2-yl]-2-hydroxybenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxybutan-2-yl]-3-methoxy-4-propoxybenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-3-methylbutan-2-yl]-3-methylbenzamide;pentakis(carbon dioxide).
What is the SMILES notation for N-[1-(4-amino-2-methylquinolin-5-yl)oxybutan-2-yl]-4-butoxy-3-methoxybenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxybutan-2-yl]-3,4-dihydro-2H-chromene-8-carboxamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxybutan-2-yl]-2-hydroxybenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxybutan-2-yl]-3-methoxy-4-propoxybenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-3-methylbutan-2-yl]-3-methylbenzamide;pentakis(carbon dioxide)?
The canonical SMILES for N-[1-(4-amino-2-methylquinolin-5-yl)oxybutan-2-yl]-4-butoxy-3-methoxybenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxybutan-2-yl]-3,4-dihydro-2H-chromene-8-carboxamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxybutan-2-yl]-2-hydroxybenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxybutan-2-yl]-3-methoxy-4-propoxybenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-3-methylbutan-2-yl]-3-methylbenzamide;pentakis(carbon dioxide) is CCC(COc1cccc2nc(C)cc(N)c12)NC(=O)c1cccc2c1OCCC2.CCC(COc1cccc2nc(C)cc(N)c12)NC(=O)c1ccccc1O.CCCCOc1ccc(C(=O)NC(CC)COc2cccc3nc(C)cc(N)c23)cc1OC.CCCOc1ccc(C(=O)NC(CC)COc2cccc3nc(C)cc(N)c23)cc1OC.Cc1cccc(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]-4-butoxy-3-methoxybenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxybutan-2-yl]-3,4-dihydro-2H-chromene-8-carboxamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxybutan-2-yl]-2-hydroxybenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxybutan-2-yl]-3-methoxy-4-propoxybenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-3-methylbutan-2-yl]-3-methylbenzamide;pentakis(carbon dioxide)?
The InChIKey is GVJCXDZSQQHFSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O4.C25H31N3O4.C24H27N3O3.C23H27N3O2.C21H23N3O3.5CO2/c1-5-7-13-32-22-12-11-18(15-24(22)31-4)26(30)29-19(6-2)16-33-23-10-8-9-21-25(23)20(27)14-17(3)28-21;1-5-12-31-21-11-10-17(14-23(21)30-4)25(29)28-18(6-2)15-32-22-9-7-8-20-24(22)19(26)13-16(3)27-20;1-3-17(27-24(28)18-9-4-7-16-8-6-12-29-23(16)18)14-30-21-11-5-10-20-22(21)19(25)13-15(2)26-20;1-14(2)20(26-23(27)17-8-5-7-15(3)11-17)13-28-21-10-6-9-19-22(21)18(24)12-16(4)25-19;1-3-14(24-21(26)15-7-4-5-9-18(15)25)12-27-19-10-6-8-17-20(19)16(22)11-13(2)23-17;5*2-1-3/h8-12,14-15,19H,5-7,13,16H2,1-4H3,(H2,27,28)(H,29,30);7-11,13-14,18H,5-6,12,15H2,1-4H3,(H2,26,27)(H,28,29);4-5,7,9-11,13,17H,3,6,8,12,14H2,1-2H3,(H2,25,26)(H,27,28);5-12,14,20H,13H2,1-4H3,(H2,24,25)(H,26,27);4-11,14,25H,3,12H2,1-2H3,(H2,22,23)(H,24,26);;;;;.
What are the key properties of N-[1-(4-amino-2-methylquinolin-5-yl)oxybutan-2-yl]-4-butoxy-3-methoxybenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxybutan-2-yl]-3,4-dihydro-2H-chromene-8-carboxamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxybutan-2-yl]-2-hydroxybenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxybutan-2-yl]-3-methoxy-4-propoxybenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-3-methylbutan-2-yl]-3-methylbenzamide;pentakis(carbon dioxide)?
N-[1-(4-amino-2-methylquinolin-5-yl)oxybutan-2-yl]-4-butoxy-3-methoxybenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxybutan-2-yl]-3,4-dihydro-2H-chromene-8-carboxamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxybutan-2-yl]-2-hydroxybenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxybutan-2-yl]-3-methoxy-4-propoxybenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-3-methylbutan-2-yl]-3-methylbenzamide;pentakis(carbon dioxide) has a molecular weight of 2257.57 g/mol, XLogP of 18.22, 39 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]-4-butoxy-3-methoxybenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxybutan-2-yl]-3,4-dihydro-2H-chromene-8-carboxamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxybutan-2-yl]-2-hydroxybenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxybutan-2-yl]-3-methoxy-4-propoxybenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-3-methylbutan-2-yl]-3-methylbenzamide;pentakis(carbon dioxide) is sourced from PubChem (CID 158377363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).