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)

C106H123N15O21 — CID 159608753

IUPACN-[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)
SMILESCC(=O)N1CCCC1COc1cccc2nc(C)cc(N)c12.Cc1cc(N)c2c(OCC(NC(=O)c3ccccc3O)C(C)C)cccc2n1.Cc1cc(N)c2c(OCC3CCCN3C(=O)C(C)C)cccc2n1.Cc1cc(N)c2c(OCC3CCCN3C(=O)C3CCCCC3)cccc2n1.Cc1cccc(C(=O)NC(C)COc2cccc3nc(C)cc(N)c23)c1.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O
InChIInChI=1S/C22H25N3O3.C22H29N3O2.C21H23N3O2.C19H25N3O2.C17H21N3O2.5CO2/c1-13(2)18(25-22(27)15-7-4-5-9-19(15)26)12-28-20-10-6-8-17-21(20)16(23)11-14(3)24-17;1-15-13-18(23)21-19(24-15)10-5-11-20(21)27-14-17-9-6-12-25(17)22(26)16-7-3-2-4-8-16;1-13-6-4-7-16(10-13)21(25)24-15(3)12-26-19-9-5-8-18-20(19)17(22)11-14(2)23-18;1-12(2)19(23)22-9-5-6-14(22)11-24-17-8-4-7-16-18(17)15(20)10-13(3)21-16;1-11-9-14(18)17-15(19-11)6-3-7-16(17)22-10-13-5-4-8-20(13)12(2)21;5*2-1-3/h4-11,13,18,26H,12H2,1-3H3,(H2,23,24)(H,25,27);5,10-11,13,16-17H,2-4,6-9,12,14H2,1H3,(H2,23,24);4-11,15H,12H2,1-3H3,(H2,22,23)(H,24,25);4,7-8,10,12,14H,5-6,9,11H2,1-3H3,(H2,20,21);3,6-7,9,13H,4-5,8,10H2,1-2H3,(H2,18,19);;;;;
InChIKeyMMKGLHOESFKRDF-UHFFFAOYSA-N
MW1943.23 g/mol
LogP14.12
Rot. Bonds22

About 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)

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) (PubChem CID 159608753) has the molecular formula C106H123N15O21 and a molecular weight of 1943.23 g/mol. Its IUPAC name is 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).

Molecular Properties

Compound NameN-[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)
PubChem CID159608753
Molecular FormulaC106H123N15O21
Molecular Weight1943.23 g/mol
Exact Mass1941.90
IUPAC NameN-[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)
SMILESCC(=O)N1CCCC1COc1cccc2nc(C)cc(N)c12.Cc1cc(N)c2c(OCC(NC(=O)c3ccccc3O)C(C)C)cccc2n1.Cc1cc(N)c2c(OCC3CCCN3C(=O)C(C)C)cccc2n1.Cc1cc(N)c2c(OCC3CCCN3C(=O)C3CCCCC3)cccc2n1.Cc1cccc(C(=O)NC(C)COc2cccc3nc(C)cc(N)c23)c1.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O
InChIInChI=1S/C22H25N3O3.C22H29N3O2.C21H23N3O2.C19H25N3O2.C17H21N3O2.5CO2/c1-13(2)18(25-22(27)15-7-4-5-9-19(15)26)12-28-20-10-6-8-17-21(20)16(23)11-14(3)24-17;1-15-13-18(23)21-19(24-15)10-5-11-20(21)27-14-17-9-6-12-25(17)22(26)16-7-3-2-4-8-16;1-13-6-4-7-16(10-13)21(25)24-15(3)12-26-19-9-5-8-18-20(19)17(22)11-14(2)23-18;1-12(2)19(23)22-9-5-6-14(22)11-24-17-8-4-7-16-18(17)15(20)10-13(3)21-16;1-11-9-14(18)17-15(19-11)6-3-7-16(17)22-10-13-5-4-8-20(13)12(2)21;5*2-1-3/h4-11,13,18,26H,12H2,1-3H3,(H2,23,24)(H,25,27);5,10-11,13,16-17H,2-4,6-9,12,14H2,1H3,(H2,23,24);4-11,15H,12H2,1-3H3,(H2,22,23)(H,24,25);4,7-8,10,12,14H,5-6,9,11H2,1-3H3,(H2,20,21);3,6-7,9,13H,4-5,8,10H2,1-2H3,(H2,18,19);;;;;
InChIKeyMMKGLHOESFKRDF-UHFFFAOYSA-N
XLogP14.12
TPSA550.76 Ų
H-Bond Donors8
H-Bond Acceptors31
Rotatable Bonds22
Heavy Atoms142
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001943.23
LogP ≤ 514.12
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1031

Analyze 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) with MolForge

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Related Compounds

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)oxypropan-2-yl]-3-methylbenzamide;carbon dioxide
CID 123575535
N-[1-(4-amino-2-methylquinolin-5-yl)oxypropan-2-yl]benzamide
CID 58460351
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
N-[1-(4-amino-2-methylquinolin-5-yl)oxy-3-methylbutan-2-yl]-3,4-dihydro-2H-chromene-7-carboxamide
CID 174193589
4-amino-5-[[(2S)-1-(cyclohexanecarbonyl)pyrrolidin-2-yl]methoxy]-2-methylquinoline-3-carboxylic acid
CID 66745933
N-[1-(4-amino-2-methylquinolin-5-yl)oxypropan-2-yl]-3-butoxy-4-methoxybenzamide;carbon dioxide
CID 123835407
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)oxypropan-2-yl]-4-(2-hydroxyethoxy)-3-methoxybenzamide
CID 58460441
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
1-[3-(4-amino-2-methylquinolin-5-yl)oxypiperidin-1-yl]-2-methylpropan-1-one;carbon dioxide
CID 158551918
N-[(2S)-1-(4-amino-2-methylquinolin-5-yl)oxybutan-2-yl]-3-hydroxybenzamide
CID 58460428

Frequently Asked Questions

What is the IUPAC name of 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)?
The IUPAC name of 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) is 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).
What is the SMILES notation for 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)?
The canonical SMILES for 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) is CC(=O)N1CCCC1COc1cccc2nc(C)cc(N)c12.Cc1cc(N)c2c(OCC(NC(=O)c3ccccc3O)C(C)C)cccc2n1.Cc1cc(N)c2c(OCC3CCCN3C(=O)C(C)C)cccc2n1.Cc1cc(N)c2c(OCC3CCCN3C(=O)C3CCCCC3)cccc2n1.Cc1cccc(C(=O)NC(C)COc2cccc3nc(C)cc(N)c23)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)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)?
The InChIKey is MMKGLHOESFKRDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3.C22H29N3O2.C21H23N3O2.C19H25N3O2.C17H21N3O2.5CO2/c1-13(2)18(25-22(27)15-7-4-5-9-19(15)26)12-28-20-10-6-8-17-21(20)16(23)11-14(3)24-17;1-15-13-18(23)21-19(24-15)10-5-11-20(21)27-14-17-9-6-12-25(17)22(26)16-7-3-2-4-8-16;1-13-6-4-7-16(10-13)21(25)24-15(3)12-26-19-9-5-8-18-20(19)17(22)11-14(2)23-18;1-12(2)19(23)22-9-5-6-14(22)11-24-17-8-4-7-16-18(17)15(20)10-13(3)21-16;1-11-9-14(18)17-15(19-11)6-3-7-16(17)22-10-13-5-4-8-20(13)12(2)21;5*2-1-3/h4-11,13,18,26H,12H2,1-3H3,(H2,23,24)(H,25,27);5,10-11,13,16-17H,2-4,6-9,12,14H2,1H3,(H2,23,24);4-11,15H,12H2,1-3H3,(H2,22,23)(H,24,25);4,7-8,10,12,14H,5-6,9,11H2,1-3H3,(H2,20,21);3,6-7,9,13H,4-5,8,10H2,1-2H3,(H2,18,19);;;;;.
What are the key properties of 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)?
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) has a molecular weight of 1943.23 g/mol, XLogP of 14.12, 22 rotatable bonds, 8 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 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) is sourced from PubChem (CID 159608753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).