4-(4-amino-2-methylquinolin-5-yl)oxy-1-(3,4-dihydro-2H-chromen-4-yl)-3,3-dimethylbutan-2-one;4-(4-amino-2-methylquinolin-5-yl)oxy-3,3-dimethyl-1-(5-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-one;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]-2-hydroxybenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-methylbenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-4-methylbenzamide;hexakis(carbon dioxide);methane

C146H164N16O26 — CID 157195542

IUPAC4-(4-amino-2-methylquinolin-5-yl)oxy-1-(3,4-dihydro-2H-chromen-4-yl)-3,3-dimethylbutan-2-one;4-(4-amino-2-methylquinolin-5-yl)oxy-3,3-dimethyl-1-(5-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-one;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]-2-hydroxybenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-methylbenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-4-methylbenzamide;hexakis(carbon dioxide);methane
SMILESC.C.Cc1cc(N)c2c(OCC(C)(C)C(=O)CC3CCCc4c(C)cccc43)cccc2n1.Cc1cc(N)c2c(OCC(C)(C)C(=O)CC3CCOc4ccccc43)cccc2n1.Cc1cc(N)c2c(OCC(C)(C)NC(=O)c3ccccc3)cccc2n1.Cc1cc(N)c2c(OCC(C)(C)NC(=O)c3ccccc3O)cccc2n1.Cc1ccc(C(=O)NC(C)(C)COc2cccc3nc(C)cc(N)c23)cc1.Cc1cccc(C(=O)NC(C)(C)COc2cccc3nc(C)cc(N)c23)c1.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O
InChIInChI=1S/C27H32N2O2.C25H28N2O3.2C22H25N3O2.C21H23N3O3.C21H23N3O2.6CO2.2CH4/c1-17-8-5-11-21-19(9-6-10-20(17)21)15-25(30)27(3,4)16-31-24-13-7-12-23-26(24)22(28)14-18(2)29-23;1-16-13-19(26)24-20(27-16)8-6-10-22(24)30-15-25(2,3)23(28)14-17-11-12-29-21-9-5-4-7-18(17)21;1-14-7-5-8-16(11-14)21(26)25-22(3,4)13-27-19-10-6-9-18-20(19)17(23)12-15(2)24-18;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;1-13-11-15(22)19-16(23-13)8-6-10-18(19)27-12-21(2,3)24-20(26)14-7-4-5-9-17(14)25;1-14-12-16(22)19-17(23-14)10-7-11-18(19)26-13-21(2,3)24-20(25)15-8-5-4-6-9-15;6*2-1-3;;/h5,7-8,11-14,19H,6,9-10,15-16H2,1-4H3,(H2,28,29);4-10,13,17H,11-12,14-15H2,1-3H3,(H2,26,27);2*5-12H,13H2,1-4H3,(H2,23,24)(H,25,26);4-11,25H,12H2,1-3H3,(H2,22,23)(H,24,26);4-12H,13H2,1-3H3,(H2,22,23)(H,24,25);;;;;;;2*1H4
InChIKeyAQEZNZCIKOMPCC-UHFFFAOYSA-N
MW2559.00 g/mol
LogP23.92
Rot. Bonds32

About 4-(4-amino-2-methylquinolin-5-yl)oxy-1-(3,4-dihydro-2H-chromen-4-yl)-3,3-dimethylbutan-2-one;4-(4-amino-2-methylquinolin-5-yl)oxy-3,3-dimethyl-1-(5-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-one;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]-2-hydroxybenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-methylbenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-4-methylbenzamide;hexakis(carbon dioxide);methane

4-(4-amino-2-methylquinolin-5-yl)oxy-1-(3,4-dihydro-2H-chromen-4-yl)-3,3-dimethylbutan-2-one;4-(4-amino-2-methylquinolin-5-yl)oxy-3,3-dimethyl-1-(5-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-one;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]-2-hydroxybenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-methylbenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-4-methylbenzamide;hexakis(carbon dioxide);methane (PubChem CID 157195542) has the molecular formula C146H164N16O26 and a molecular weight of 2559.00 g/mol. Its IUPAC name is 4-(4-amino-2-methylquinolin-5-yl)oxy-1-(3,4-dihydro-2H-chromen-4-yl)-3,3-dimethylbutan-2-one;4-(4-amino-2-methylquinolin-5-yl)oxy-3,3-dimethyl-1-(5-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-one;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]-2-hydroxybenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-methylbenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-4-methylbenzamide;hexakis(carbon dioxide);methane.

Molecular Properties

Compound Name4-(4-amino-2-methylquinolin-5-yl)oxy-1-(3,4-dihydro-2H-chromen-4-yl)-3,3-dimethylbutan-2-one;4-(4-amino-2-methylquinolin-5-yl)oxy-3,3-dimethyl-1-(5-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-one;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]-2-hydroxybenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-methylbenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-4-methylbenzamide;hexakis(carbon dioxide);methane
PubChem CID157195542
Molecular FormulaC146H164N16O26
Molecular Weight2559.00 g/mol
Exact Mass2557.20
IUPAC Name4-(4-amino-2-methylquinolin-5-yl)oxy-1-(3,4-dihydro-2H-chromen-4-yl)-3,3-dimethylbutan-2-one;4-(4-amino-2-methylquinolin-5-yl)oxy-3,3-dimethyl-1-(5-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-one;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]-2-hydroxybenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-methylbenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-4-methylbenzamide;hexakis(carbon dioxide);methane
SMILESC.C.Cc1cc(N)c2c(OCC(C)(C)C(=O)CC3CCCc4c(C)cccc43)cccc2n1.Cc1cc(N)c2c(OCC(C)(C)C(=O)CC3CCOc4ccccc43)cccc2n1.Cc1cc(N)c2c(OCC(C)(C)NC(=O)c3ccccc3)cccc2n1.Cc1cc(N)c2c(OCC(C)(C)NC(=O)c3ccccc3O)cccc2n1.Cc1ccc(C(=O)NC(C)(C)COc2cccc3nc(C)cc(N)c23)cc1.Cc1cccc(C(=O)NC(C)(C)COc2cccc3nc(C)cc(N)c23)c1.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O
InChIInChI=1S/C27H32N2O2.C25H28N2O3.2C22H25N3O2.C21H23N3O3.C21H23N3O2.6CO2.2CH4/c1-17-8-5-11-21-19(9-6-10-20(17)21)15-25(30)27(3,4)16-31-24-13-7-12-23-26(24)22(28)14-18(2)29-23;1-16-13-19(26)24-20(27-16)8-6-10-22(24)30-15-25(2,3)23(28)14-17-11-12-29-21-9-5-4-7-18(17)21;1-14-7-5-8-16(11-14)21(26)25-22(3,4)13-27-19-10-6-9-18-20(19)17(23)12-15(2)24-18;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;1-13-11-15(22)19-16(23-13)8-6-10-18(19)27-12-21(2,3)24-20(26)14-7-4-5-9-17(14)25;1-14-12-16(22)19-17(23-14)10-7-11-18(19)26-13-21(2,3)24-20(25)15-8-5-4-6-9-15;6*2-1-3;;/h5,7-8,11-14,19H,6,9-10,15-16H2,1-4H3,(H2,28,29);4-10,13,17H,11-12,14-15H2,1-3H3,(H2,26,27);2*5-12H,13H2,1-4H3,(H2,23,24)(H,25,26);4-11,25H,12H2,1-3H3,(H2,22,23)(H,24,26);4-12H,13H2,1-3H3,(H2,22,23)(H,24,25);;;;;;;2*1H4
InChIKeyAQEZNZCIKOMPCC-UHFFFAOYSA-N
XLogP23.92
TPSA673.68 Ų
H-Bond Donors11
H-Bond Acceptors38
Rotatable Bonds32
Heavy Atoms188
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002559.00
LogP ≤ 523.92
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1038

Analyze 4-(4-amino-2-methylquinolin-5-yl)oxy-1-(3,4-dihydro-2H-chromen-4-yl)-3,3-dimethylbutan-2-one;4-(4-amino-2-methylquinolin-5-yl)oxy-3,3-dimethyl-1-(5-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-one;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]-2-hydroxybenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-methylbenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-4-methylbenzamide;hexakis(carbon dioxide);methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-2-methylquinolin-5-yl)oxy-1-(3,4-dihydro-2H-chromen-4-yl)-3,3-dimethylbutan-2-one;4-(4-amino-2-methylquinolin-5-yl)oxy-3,3-dimethyl-1-(5-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-one;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]-2-hydroxybenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-methylbenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-4-methylbenzamide;hexakis(carbon dioxide);methane?
The IUPAC name of 4-(4-amino-2-methylquinolin-5-yl)oxy-1-(3,4-dihydro-2H-chromen-4-yl)-3,3-dimethylbutan-2-one;4-(4-amino-2-methylquinolin-5-yl)oxy-3,3-dimethyl-1-(5-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-one;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]-2-hydroxybenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-methylbenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-4-methylbenzamide;hexakis(carbon dioxide);methane (CID 157195542) is 4-(4-amino-2-methylquinolin-5-yl)oxy-1-(3,4-dihydro-2H-chromen-4-yl)-3,3-dimethylbutan-2-one;4-(4-amino-2-methylquinolin-5-yl)oxy-3,3-dimethyl-1-(5-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-one;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]-2-hydroxybenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-methylbenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-4-methylbenzamide;hexakis(carbon dioxide);methane.
What is the SMILES notation for 4-(4-amino-2-methylquinolin-5-yl)oxy-1-(3,4-dihydro-2H-chromen-4-yl)-3,3-dimethylbutan-2-one;4-(4-amino-2-methylquinolin-5-yl)oxy-3,3-dimethyl-1-(5-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-one;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]-2-hydroxybenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-methylbenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-4-methylbenzamide;hexakis(carbon dioxide);methane?
The canonical SMILES for 4-(4-amino-2-methylquinolin-5-yl)oxy-1-(3,4-dihydro-2H-chromen-4-yl)-3,3-dimethylbutan-2-one;4-(4-amino-2-methylquinolin-5-yl)oxy-3,3-dimethyl-1-(5-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-one;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]-2-hydroxybenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-methylbenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-4-methylbenzamide;hexakis(carbon dioxide);methane is C.C.Cc1cc(N)c2c(OCC(C)(C)C(=O)CC3CCCc4c(C)cccc43)cccc2n1.Cc1cc(N)c2c(OCC(C)(C)C(=O)CC3CCOc4ccccc43)cccc2n1.Cc1cc(N)c2c(OCC(C)(C)NC(=O)c3ccccc3)cccc2n1.Cc1cc(N)c2c(OCC(C)(C)NC(=O)c3ccccc3O)cccc2n1.Cc1ccc(C(=O)NC(C)(C)COc2cccc3nc(C)cc(N)c23)cc1.Cc1cccc(C(=O)NC(C)(C)COc2cccc3nc(C)cc(N)c23)c1.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.
What is the InChIKey of 4-(4-amino-2-methylquinolin-5-yl)oxy-1-(3,4-dihydro-2H-chromen-4-yl)-3,3-dimethylbutan-2-one;4-(4-amino-2-methylquinolin-5-yl)oxy-3,3-dimethyl-1-(5-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-one;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]-2-hydroxybenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-methylbenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-4-methylbenzamide;hexakis(carbon dioxide);methane?
The InChIKey is AQEZNZCIKOMPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O2.C25H28N2O3.2C22H25N3O2.C21H23N3O3.C21H23N3O2.6CO2.2CH4/c1-17-8-5-11-21-19(9-6-10-20(17)21)15-25(30)27(3,4)16-31-24-13-7-12-23-26(24)22(28)14-18(2)29-23;1-16-13-19(26)24-20(27-16)8-6-10-22(24)30-15-25(2,3)23(28)14-17-11-12-29-21-9-5-4-7-18(17)21;1-14-7-5-8-16(11-14)21(26)25-22(3,4)13-27-19-10-6-9-18-20(19)17(23)12-15(2)24-18;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;1-13-11-15(22)19-16(23-13)8-6-10-18(19)27-12-21(2,3)24-20(26)14-7-4-5-9-17(14)25;1-14-12-16(22)19-17(23-14)10-7-11-18(19)26-13-21(2,3)24-20(25)15-8-5-4-6-9-15;6*2-1-3;;/h5,7-8,11-14,19H,6,9-10,15-16H2,1-4H3,(H2,28,29);4-10,13,17H,11-12,14-15H2,1-3H3,(H2,26,27);2*5-12H,13H2,1-4H3,(H2,23,24)(H,25,26);4-11,25H,12H2,1-3H3,(H2,22,23)(H,24,26);4-12H,13H2,1-3H3,(H2,22,23)(H,24,25);;;;;;;2*1H4.
What are the key properties of 4-(4-amino-2-methylquinolin-5-yl)oxy-1-(3,4-dihydro-2H-chromen-4-yl)-3,3-dimethylbutan-2-one;4-(4-amino-2-methylquinolin-5-yl)oxy-3,3-dimethyl-1-(5-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-one;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]-2-hydroxybenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-methylbenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-4-methylbenzamide;hexakis(carbon dioxide);methane?
4-(4-amino-2-methylquinolin-5-yl)oxy-1-(3,4-dihydro-2H-chromen-4-yl)-3,3-dimethylbutan-2-one;4-(4-amino-2-methylquinolin-5-yl)oxy-3,3-dimethyl-1-(5-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-one;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]-2-hydroxybenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-methylbenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-4-methylbenzamide;hexakis(carbon dioxide);methane has a molecular weight of 2559.00 g/mol, XLogP of 23.92, 32 rotatable bonds, 11 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-2-methylquinolin-5-yl)oxy-1-(3,4-dihydro-2H-chromen-4-yl)-3,3-dimethylbutan-2-one;4-(4-amino-2-methylquinolin-5-yl)oxy-3,3-dimethyl-1-(5-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-one;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]-2-hydroxybenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-methylbenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-4-methylbenzamide;hexakis(carbon dioxide);methane is sourced from PubChem (CID 157195542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).