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]-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

C137H168N18O28 — CID 157100445

IUPACN-[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]-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
SMILESC.C.C.C.CC(=O)N1CCCC1COc1cccc2nc(C)cc(N)c12.CCC(COc1cccc2nc(C)cc(N)c12)NC(=O)c1ccccc1O.CCCOc1ccc(C(=O)NC(CC)COc2cccc3nc(C)cc(N)c23)cc1OC.Cc1cc(N)c2c(OCC(NC(=O)c3ccccc3O)C(C)C)cccc2n1.Cc1cc(N)c2c(OCC3CCCN3C(=O)C(C)C)cccc2n1.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.O=C=O
InChIInChI=1S/C25H31N3O4.C23H27N3O2.C22H25N3O3.C21H23N3O3.C19H25N3O2.C17H21N3O2.6CO2.4CH4/c1-5-12-31-21-11-10-17(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;1-14(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;1-13(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;1-3-14(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;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;6*2-1-3;;;;/h7-11,13-14,18H,5-6,12,15H2,1-4H3,(H2,26,27)(H,28,29);5-12,14,20H,13H2,1-4H3,(H2,24,25)(H,26,27);4-11,13,18,26H,12H2,1-3H3,(H2,23,24)(H,25,27);4-11,14,25H,3,12H2,1-2H3,(H2,22,23)(H,24,26);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);;;;;;;4*1H4
InChIKeyAFRYQMPVNMRVFK-UHFFFAOYSA-N
MW2514.95 g/mol
LogP20.57
Rot. Bonds35

About 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]-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

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]-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 (PubChem CID 157100445) has the molecular formula C137H168N18O28 and a molecular weight of 2514.95 g/mol. Its IUPAC name is 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]-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.

Molecular Properties

Compound NameN-[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]-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
PubChem CID157100445
Molecular FormulaC137H168N18O28
Molecular Weight2514.95 g/mol
Exact Mass2513.23
IUPAC NameN-[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]-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
SMILESC.C.C.C.CC(=O)N1CCCC1COc1cccc2nc(C)cc(N)c12.CCC(COc1cccc2nc(C)cc(N)c12)NC(=O)c1ccccc1O.CCCOc1ccc(C(=O)NC(CC)COc2cccc3nc(C)cc(N)c23)cc1OC.Cc1cc(N)c2c(OCC(NC(=O)c3ccccc3O)C(C)C)cccc2n1.Cc1cc(N)c2c(OCC3CCCN3C(=O)C(C)C)cccc2n1.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.O=C=O
InChIInChI=1S/C25H31N3O4.C23H27N3O2.C22H25N3O3.C21H23N3O3.C19H25N3O2.C17H21N3O2.6CO2.4CH4/c1-5-12-31-21-11-10-17(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;1-14(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;1-13(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;1-3-14(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;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;6*2-1-3;;;;/h7-11,13-14,18H,5-6,12,15H2,1-4H3,(H2,26,27)(H,28,29);5-12,14,20H,13H2,1-4H3,(H2,24,25)(H,26,27);4-11,13,18,26H,12H2,1-3H3,(H2,23,24)(H,25,27);4-11,14,25H,3,12H2,1-2H3,(H2,22,23)(H,24,26);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);;;;;;;4*1H4
InChIKeyAFRYQMPVNMRVFK-UHFFFAOYSA-N
XLogP20.57
TPSA709.62 Ų
H-Bond Donors12
H-Bond Acceptors40
Rotatable Bonds35
Heavy Atoms183
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002514.95
LogP ≤ 520.57
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1040

Analyze 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]-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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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]-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?
The IUPAC name of 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]-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 157100445) is 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]-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.
What is the SMILES notation for 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]-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?
The canonical SMILES for 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]-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 is C.C.C.C.CC(=O)N1CCCC1COc1cccc2nc(C)cc(N)c12.CCC(COc1cccc2nc(C)cc(N)c12)NC(=O)c1ccccc1O.CCCOc1ccc(C(=O)NC(CC)COc2cccc3nc(C)cc(N)c23)cc1OC.Cc1cc(N)c2c(OCC(NC(=O)c3ccccc3O)C(C)C)cccc2n1.Cc1cc(N)c2c(OCC3CCCN3C(=O)C(C)C)cccc2n1.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.O=C=O.
What is the InChIKey of 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]-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?
The InChIKey is AFRYQMPVNMRVFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O4.C23H27N3O2.C22H25N3O3.C21H23N3O3.C19H25N3O2.C17H21N3O2.6CO2.4CH4/c1-5-12-31-21-11-10-17(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;1-14(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;1-13(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;1-3-14(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;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;6*2-1-3;;;;/h7-11,13-14,18H,5-6,12,15H2,1-4H3,(H2,26,27)(H,28,29);5-12,14,20H,13H2,1-4H3,(H2,24,25)(H,26,27);4-11,13,18,26H,12H2,1-3H3,(H2,23,24)(H,25,27);4-11,14,25H,3,12H2,1-2H3,(H2,22,23)(H,24,26);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);;;;;;;4*1H4.
What are the key properties of 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]-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?
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]-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 has a molecular weight of 2514.95 g/mol, XLogP of 20.57, 35 rotatable bonds, 12 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 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]-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 is sourced from PubChem (CID 157100445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).