N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]benzamide;heptakis(carbon dioxide);5-(cyclopentylmethoxy)-2-methylquinolin-4-amine;5-cyclopentyloxy-2-methylquinolin-4-amine;5-(3,3-dimethylbutyl)-2-methylquinolin-4-amine;5-(2-ethylbutoxy)-2-methylquinolin-4-amine;5-heptan-4-yloxy-2-methylquinolin-4-amine;2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-4-amine

C120H143N15O20S — CID 159792062

IUPACN-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]benzamide;heptakis(carbon dioxide);5-(cyclopentylmethoxy)-2-methylquinolin-4-amine;5-cyclopentyloxy-2-methylquinolin-4-amine;5-(3,3-dimethylbutyl)-2-methylquinolin-4-amine;5-(2-ethylbutoxy)-2-methylquinolin-4-amine;5-heptan-4-yloxy-2-methylquinolin-4-amine;2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-4-amine
SMILESCCC(CC)COc1cccc2nc(C)cc(N)c12.CCCC(CCC)Oc1cccc2nc(C)cc(N)c12.Cc1cc(N)c2c(CCC(C)(C)C)cccc2n1.Cc1cc(N)c2c(OC3CCCC3)cccc2n1.Cc1cc(N)c2c(OCC(C)(C)NC(=O)c3ccccc3)cccc2n1.Cc1cc(N)c2c(OCC3CCCC3)cccc2n1.Cc1cc(N)c2c3c(sc2n1)CCCC3.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O
InChIInChI=1S/C21H23N3O2.C17H24N2O.C16H20N2O.C16H22N2O.C16H22N2.C15H18N2O.C12H14N2S.7CO2/c1-14-12-16(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;1-4-7-13(8-5-2)20-16-10-6-9-15-17(16)14(18)11-12(3)19-15;1-11-9-13(17)16-14(18-11)7-4-8-15(16)19-10-12-5-2-3-6-12;1-4-12(5-2)10-19-15-8-6-7-14-16(15)13(17)9-11(3)18-14;1-11-10-13(17)15-12(8-9-16(2,3)4)6-5-7-14(15)18-11;1-10-9-12(16)15-13(17-10)7-4-8-14(15)18-11-5-2-3-6-11;1-7-6-9(13)11-8-4-2-3-5-10(8)15-12(11)14-7;7*2-1-3/h4-12H,13H2,1-3H3,(H2,22,23)(H,24,25);6,9-11,13H,4-5,7-8H2,1-3H3,(H2,18,19);4,7-9,12H,2-3,5-6,10H2,1H3,(H2,17,18);6-9,12H,4-5,10H2,1-3H3,(H2,17,18);5-7,10H,8-9H2,1-4H3,(H2,17,18);4,7-9,11H,2-3,5-6H2,1H3,(H2,16,17);6H,2-5H2,1H3,(H2,13,14);;;;;;;
InChIKeyNIRMTULHQCQZMY-UHFFFAOYSA-N
MW2147.62 g/mol
LogP22.35
Rot. Bonds23

About N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]benzamide;heptakis(carbon dioxide);5-(cyclopentylmethoxy)-2-methylquinolin-4-amine;5-cyclopentyloxy-2-methylquinolin-4-amine;5-(3,3-dimethylbutyl)-2-methylquinolin-4-amine;5-(2-ethylbutoxy)-2-methylquinolin-4-amine;5-heptan-4-yloxy-2-methylquinolin-4-amine;2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-4-amine

N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]benzamide;heptakis(carbon dioxide);5-(cyclopentylmethoxy)-2-methylquinolin-4-amine;5-cyclopentyloxy-2-methylquinolin-4-amine;5-(3,3-dimethylbutyl)-2-methylquinolin-4-amine;5-(2-ethylbutoxy)-2-methylquinolin-4-amine;5-heptan-4-yloxy-2-methylquinolin-4-amine;2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-4-amine (PubChem CID 159792062) has the molecular formula C120H143N15O20S and a molecular weight of 2147.62 g/mol. Its IUPAC name is N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]benzamide;heptakis(carbon dioxide);5-(cyclopentylmethoxy)-2-methylquinolin-4-amine;5-cyclopentyloxy-2-methylquinolin-4-amine;5-(3,3-dimethylbutyl)-2-methylquinolin-4-amine;5-(2-ethylbutoxy)-2-methylquinolin-4-amine;5-heptan-4-yloxy-2-methylquinolin-4-amine;2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-4-amine.

Molecular Properties

Compound NameN-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]benzamide;heptakis(carbon dioxide);5-(cyclopentylmethoxy)-2-methylquinolin-4-amine;5-cyclopentyloxy-2-methylquinolin-4-amine;5-(3,3-dimethylbutyl)-2-methylquinolin-4-amine;5-(2-ethylbutoxy)-2-methylquinolin-4-amine;5-heptan-4-yloxy-2-methylquinolin-4-amine;2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-4-amine
PubChem CID159792062
Molecular FormulaC120H143N15O20S
Molecular Weight2147.62 g/mol
Exact Mass2146.04
IUPAC NameN-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]benzamide;heptakis(carbon dioxide);5-(cyclopentylmethoxy)-2-methylquinolin-4-amine;5-cyclopentyloxy-2-methylquinolin-4-amine;5-(3,3-dimethylbutyl)-2-methylquinolin-4-amine;5-(2-ethylbutoxy)-2-methylquinolin-4-amine;5-heptan-4-yloxy-2-methylquinolin-4-amine;2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-4-amine
SMILESCCC(CC)COc1cccc2nc(C)cc(N)c12.CCCC(CCC)Oc1cccc2nc(C)cc(N)c12.Cc1cc(N)c2c(CCC(C)(C)C)cccc2n1.Cc1cc(N)c2c(OC3CCCC3)cccc2n1.Cc1cc(N)c2c(OCC(C)(C)NC(=O)c3ccccc3)cccc2n1.Cc1cc(N)c2c(OCC3CCCC3)cccc2n1.Cc1cc(N)c2c3c(sc2n1)CCCC3.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O
InChIInChI=1S/C21H23N3O2.C17H24N2O.C16H20N2O.C16H22N2O.C16H22N2.C15H18N2O.C12H14N2S.7CO2/c1-14-12-16(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;1-4-7-13(8-5-2)20-16-10-6-9-15-17(16)14(18)11-12(3)19-15;1-11-9-13(17)16-14(18-11)7-4-8-15(16)19-10-12-5-2-3-6-12;1-4-12(5-2)10-19-15-8-6-7-14-16(15)13(17)9-11(3)18-14;1-11-10-13(17)15-12(8-9-16(2,3)4)6-5-7-14(15)18-11;1-10-9-12(16)15-13(17-10)7-4-8-14(15)18-11-5-2-3-6-11;1-7-6-9(13)11-8-4-2-3-5-10(8)15-12(11)14-7;7*2-1-3/h4-12H,13H2,1-3H3,(H2,22,23)(H,24,25);6,9-11,13H,4-5,7-8H2,1-3H3,(H2,18,19);4,7-9,12H,2-3,5-6,10H2,1H3,(H2,17,18);6-9,12H,4-5,10H2,1-3H3,(H2,17,18);5-7,10H,8-9H2,1-4H3,(H2,17,18);4,7-9,11H,2-3,5-6H2,1H3,(H2,16,17);6H,2-5H2,1H3,(H2,13,14);;;;;;;
InChIKeyNIRMTULHQCQZMY-UHFFFAOYSA-N
XLogP22.35
TPSA586.60 Ų
H-Bond Donors8
H-Bond Acceptors35
Rotatable Bonds23
Heavy Atoms156
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002147.62
LogP ≤ 522.35
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1035

Analyze N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]benzamide;heptakis(carbon dioxide);5-(cyclopentylmethoxy)-2-methylquinolin-4-amine;5-cyclopentyloxy-2-methylquinolin-4-amine;5-(3,3-dimethylbutyl)-2-methylquinolin-4-amine;5-(2-ethylbutoxy)-2-methylquinolin-4-amine;5-heptan-4-yloxy-2-methylquinolin-4-amine;2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]benzamide;heptakis(carbon dioxide);5-(cyclopentylmethoxy)-2-methylquinolin-4-amine;5-cyclopentyloxy-2-methylquinolin-4-amine;5-(3,3-dimethylbutyl)-2-methylquinolin-4-amine;5-(2-ethylbutoxy)-2-methylquinolin-4-amine;5-heptan-4-yloxy-2-methylquinolin-4-amine;2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-4-amine?
The IUPAC name of N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]benzamide;heptakis(carbon dioxide);5-(cyclopentylmethoxy)-2-methylquinolin-4-amine;5-cyclopentyloxy-2-methylquinolin-4-amine;5-(3,3-dimethylbutyl)-2-methylquinolin-4-amine;5-(2-ethylbutoxy)-2-methylquinolin-4-amine;5-heptan-4-yloxy-2-methylquinolin-4-amine;2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-4-amine (CID 159792062) is N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]benzamide;heptakis(carbon dioxide);5-(cyclopentylmethoxy)-2-methylquinolin-4-amine;5-cyclopentyloxy-2-methylquinolin-4-amine;5-(3,3-dimethylbutyl)-2-methylquinolin-4-amine;5-(2-ethylbutoxy)-2-methylquinolin-4-amine;5-heptan-4-yloxy-2-methylquinolin-4-amine;2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-4-amine.
What is the SMILES notation for N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]benzamide;heptakis(carbon dioxide);5-(cyclopentylmethoxy)-2-methylquinolin-4-amine;5-cyclopentyloxy-2-methylquinolin-4-amine;5-(3,3-dimethylbutyl)-2-methylquinolin-4-amine;5-(2-ethylbutoxy)-2-methylquinolin-4-amine;5-heptan-4-yloxy-2-methylquinolin-4-amine;2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-4-amine?
The canonical SMILES for N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]benzamide;heptakis(carbon dioxide);5-(cyclopentylmethoxy)-2-methylquinolin-4-amine;5-cyclopentyloxy-2-methylquinolin-4-amine;5-(3,3-dimethylbutyl)-2-methylquinolin-4-amine;5-(2-ethylbutoxy)-2-methylquinolin-4-amine;5-heptan-4-yloxy-2-methylquinolin-4-amine;2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-4-amine is CCC(CC)COc1cccc2nc(C)cc(N)c12.CCCC(CCC)Oc1cccc2nc(C)cc(N)c12.Cc1cc(N)c2c(CCC(C)(C)C)cccc2n1.Cc1cc(N)c2c(OC3CCCC3)cccc2n1.Cc1cc(N)c2c(OCC(C)(C)NC(=O)c3ccccc3)cccc2n1.Cc1cc(N)c2c(OCC3CCCC3)cccc2n1.Cc1cc(N)c2c3c(sc2n1)CCCC3.O=C=O.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)oxy-2-methylpropan-2-yl]benzamide;heptakis(carbon dioxide);5-(cyclopentylmethoxy)-2-methylquinolin-4-amine;5-cyclopentyloxy-2-methylquinolin-4-amine;5-(3,3-dimethylbutyl)-2-methylquinolin-4-amine;5-(2-ethylbutoxy)-2-methylquinolin-4-amine;5-heptan-4-yloxy-2-methylquinolin-4-amine;2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-4-amine?
The InChIKey is NIRMTULHQCQZMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2.C17H24N2O.C16H20N2O.C16H22N2O.C16H22N2.C15H18N2O.C12H14N2S.7CO2/c1-14-12-16(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;1-4-7-13(8-5-2)20-16-10-6-9-15-17(16)14(18)11-12(3)19-15;1-11-9-13(17)16-14(18-11)7-4-8-15(16)19-10-12-5-2-3-6-12;1-4-12(5-2)10-19-15-8-6-7-14-16(15)13(17)9-11(3)18-14;1-11-10-13(17)15-12(8-9-16(2,3)4)6-5-7-14(15)18-11;1-10-9-12(16)15-13(17-10)7-4-8-14(15)18-11-5-2-3-6-11;1-7-6-9(13)11-8-4-2-3-5-10(8)15-12(11)14-7;7*2-1-3/h4-12H,13H2,1-3H3,(H2,22,23)(H,24,25);6,9-11,13H,4-5,7-8H2,1-3H3,(H2,18,19);4,7-9,12H,2-3,5-6,10H2,1H3,(H2,17,18);6-9,12H,4-5,10H2,1-3H3,(H2,17,18);5-7,10H,8-9H2,1-4H3,(H2,17,18);4,7-9,11H,2-3,5-6H2,1H3,(H2,16,17);6H,2-5H2,1H3,(H2,13,14);;;;;;;.
What are the key properties of N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]benzamide;heptakis(carbon dioxide);5-(cyclopentylmethoxy)-2-methylquinolin-4-amine;5-cyclopentyloxy-2-methylquinolin-4-amine;5-(3,3-dimethylbutyl)-2-methylquinolin-4-amine;5-(2-ethylbutoxy)-2-methylquinolin-4-amine;5-heptan-4-yloxy-2-methylquinolin-4-amine;2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-4-amine?
N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]benzamide;heptakis(carbon dioxide);5-(cyclopentylmethoxy)-2-methylquinolin-4-amine;5-cyclopentyloxy-2-methylquinolin-4-amine;5-(3,3-dimethylbutyl)-2-methylquinolin-4-amine;5-(2-ethylbutoxy)-2-methylquinolin-4-amine;5-heptan-4-yloxy-2-methylquinolin-4-amine;2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-4-amine has a molecular weight of 2147.62 g/mol, XLogP of 22.35, 23 rotatable bonds, 8 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]benzamide;heptakis(carbon dioxide);5-(cyclopentylmethoxy)-2-methylquinolin-4-amine;5-cyclopentyloxy-2-methylquinolin-4-amine;5-(3,3-dimethylbutyl)-2-methylquinolin-4-amine;5-(2-ethylbutoxy)-2-methylquinolin-4-amine;5-heptan-4-yloxy-2-methylquinolin-4-amine;2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-4-amine is sourced from PubChem (CID 159792062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).