8-chloro-N-(3-chloro-4-methoxyphenyl)-5-(2-morpholin-4-ylethoxy)quinolin-2-amine;8-chloro-N-(3-chloro-4-methoxyphenyl)quinolin-2-amine;8-chloro-2-[3-chloro-4-(trifluoromethoxy)anilino]-5-(dimethylsulfamoylamino)quinoline;8-chloro-N-[3-chloro-4-(trifluoromethoxy)phenyl]-5-(2-piperidin-1-ylethoxy)quinolin-2-amine;8-chloro-5-(2-piperidin-1-ylethoxy)-N-[4-(trifluoromethoxy)phenyl]quinolin-2-amine;2-[4-[(8-chloroquinolin-2-yl)amino]phenoxy]ethanol;1-N-(8-chloroquinolin-2-yl)-4-(trifluoromethoxy)benzene-1,2-diamine

C135H121Cl11F12N20O14S — CID 163867076

About 8-chloro-N-(3-chloro-4-methoxyphenyl)-5-(2-morpholin-4-ylethoxy)quinolin-2-amine;8-chloro-N-(3-chloro-4-methoxyphenyl)quinolin-2-amine;8-chloro-2-[3-chloro-4-(trifluoromethoxy)anilino]-5-(dimethylsulfamoylamino)quinoline;8-chloro-N-[3-chloro-4-(trifluoromethoxy)phenyl]-5-(2-piperidin-1-ylethoxy)quinolin-2-amine;8-chloro-5-(2-piperidin-1-ylethoxy)-N-[4-(trifluoromethoxy)phenyl]quinolin-2-amine;2-[4-[(8-chloroquinolin-2-yl)amino]phenoxy]ethanol;1-N-(8-chloroquinolin-2-yl)-4-(trifluoromethoxy)benzene-1,2-diamine

8-chloro-N-(3-chloro-4-methoxyphenyl)-5-(2-morpholin-4-ylethoxy)quinolin-2-amine;8-chloro-N-(3-chloro-4-methoxyphenyl)quinolin-2-amine;8-chloro-2-[3-chloro-4-(trifluoromethoxy)anilino]-5-(dimethylsulfamoylamino)quinoline;8-chloro-N-[3-chloro-4-(trifluoromethoxy)phenyl]-5-(2-piperidin-1-ylethoxy)quinolin-2-amine;8-chloro-5-(2-piperidin-1-ylethoxy)-N-[4-(trifluoromethoxy)phenyl]quinolin-2-amine;2-[4-[(8-chloroquinolin-2-yl)amino]phenoxy]ethanol;1-N-(8-chloroquinolin-2-yl)-4-(trifluoromethoxy)benzene-1,2-diamine (PubChem CID 163867076) has the molecular formula C135H121Cl11F12N20O14S and a molecular weight of 2897.60 g/mol. Its IUPAC name is 8-chloro-N-(3-chloro-4-methoxyphenyl)-5-(2-morpholin-4-ylethoxy)quinolin-2-amine;8-chloro-N-(3-chloro-4-methoxyphenyl)quinolin-2-amine;8-chloro-2-[3-chloro-4-(trifluoromethoxy)anilino]-5-(dimethylsulfamoylamino)quinoline;8-chloro-N-[3-chloro-4-(trifluoromethoxy)phenyl]-5-(2-piperidin-1-ylethoxy)quinolin-2-amine;8-chloro-5-(2-piperidin-1-ylethoxy)-N-[4-(trifluoromethoxy)phenyl]quinolin-2-amine;2-[4-[(8-chloroquinolin-2-yl)amino]phenoxy]ethanol;1-N-(8-chloroquinolin-2-yl)-4-(trifluoromethoxy)benzene-1,2-diamine.

Molecular Properties

• Compound Name: 8-chloro-N-(3-chloro-4-methoxyphenyl)-5-(2-morpholin-4-ylethoxy)quinolin-2-amine;8-chloro-N-(3-chloro-4-methoxyphenyl)quinolin-2-amine;8-chloro-2-[3-chloro-4-(trifluoromethoxy)anilino]-5-(dimethylsulfamoylamino)quinoline;8-chloro-N-[3-chloro-4-(trifluoromethoxy)phenyl]-5-(2-piperidin-1-ylethoxy)quinolin-2-amine;8-chloro-5-(2-piperidin-1-ylethoxy)-N-[4-(trifluoromethoxy)phenyl]quinolin-2-amine;2-[4-[(8-chloroquinolin-2-yl)amino]phenoxy]ethanol;1-N-(8-chloroquinolin-2-yl)-4-(trifluoromethoxy)benzene-1,2-diamine
• PubChem CID: 163867076
• Molecular Formula: C135H121Cl11F12N20O14S
• Molecular Weight: 2897.60 g/mol
• Exact Mass: 2890.55
• IUPAC Name: 8-chloro-N-(3-chloro-4-methoxyphenyl)-5-(2-morpholin-4-ylethoxy)quinolin-2-amine;8-chloro-N-(3-chloro-4-methoxyphenyl)quinolin-2-amine;8-chloro-2-[3-chloro-4-(trifluoromethoxy)anilino]-5-(dimethylsulfamoylamino)quinoline;8-chloro-N-[3-chloro-4-(trifluoromethoxy)phenyl]-5-(2-piperidin-1-ylethoxy)quinolin-2-amine;8-chloro-5-(2-piperidin-1-ylethoxy)-N-[4-(trifluoromethoxy)phenyl]quinolin-2-amine;2-[4-[(8-chloroquinolin-2-yl)amino]phenoxy]ethanol;1-N-(8-chloroquinolin-2-yl)-4-(trifluoromethoxy)benzene-1,2-diamine
• SMILES: CN(C)S(=O)(=O)Nc1ccc(Cl)c2nc(Nc3ccc(OC(F)(F)F)c(Cl)c3)ccc12.COc1ccc(Nc2ccc3c(OCCN4CCOCC4)ccc(Cl)c3n2)cc1Cl.COc1ccc(Nc2ccc3cccc(Cl)c3n2)cc1Cl.FC(F)(F)Oc1ccc(Nc2ccc3c(OCCN4CCCCC4)ccc(Cl)c3n2)cc1.FC(F)(F)Oc1ccc(Nc2ccc3c(OCCN4CCCCC4)ccc(Cl)c3n2)cc1Cl.Nc1cc(OC(F)(F)F)ccc1Nc1ccc2cccc(Cl)c2n1.OCCOc1ccc(Nc2ccc3cccc(Cl)c3n2)cc1
• InChI: InChI=1S/C23H22Cl2F3N3O2.C23H23ClF3N3O2.C22H23Cl2N3O3.C18H15Cl2F3N4O3S.C17H15ClN2O2.C16H12Cl2N2O.C16H11ClF3N3O/c24-17-6-8-19(32-13-12-31-10-2-1-3-11-31)16-5-9-21(30-22(16)17)29-15-4-7-20(18(25)14-15)33-23(26,27)28;24-19-9-10-20(31-15-14-30-12-2-1-3-13-30)18-8-11-21(29-22(18)19)28-16-4-6-17(7-5-16)32-23(25,26)27;1-28-20-5-2-15(14-18(20)24)25-21-7-3-16-19(6-4-17(23)22(16)26-21)30-13-10-27-8-11-29-12-9-27;1-27(2)31(28,29)26-14-6-5-12(19)17-11(14)4-8-16(25-17)24-10-3-7-15(13(20)9-10)30-18(21,22)23;18-15-3-1-2-12-4-9-16(20-17(12)15)19-13-5-7-14(8-6-13)22-11-10-21;1-21-14-7-6-11(9-13(14)18)19-15-8-5-10-3-2-4-12(17)16(10)20-15;17-11-3-1-2-9-4-7-14(23-15(9)11)22-13-6-5-10(8-12(13)21)24-16(18,19)20/h4-9,14H,1-3,10-13H2,(H,29,30);4-11H,1-3,12-15H2,(H,28,29);2-7,14H,8-13H2,1H3,(H,25,26);3-9,26H,1-2H3,(H,24,25);1-9,21H,10-11H2,(H,19,20);2-9H,1H3,(H,19,20);1-8H,21H2,(H,22,23)
• InChIKey: PHODIPCTMPUVJL-UHFFFAOYSA-N
• XLogP: 38.26
• TPSA: 381.35 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 32
• Rotatable Bonds: 38
• Heavy Atoms: 193
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2897.60
LogP ≤ 5	38.26
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8-chloro-N-(3-chloro-4-methoxyphenyl)-5-(2-morpholin-4-ylethoxy)quinolin-2-amine;8-chloro-N-(3-chloro-4-methoxyphenyl)quinolin-2-amine;8-chloro-2-[3-chloro-4-(trifluoromethoxy)anilino]-5-(dimethylsulfamoylamino)quinoline;8-chloro-N-[3-chloro-4-(trifluoromethoxy)phenyl]-5-(2-piperidin-1-ylethoxy)quinolin-2-amine;8-chloro-5-(2-piperidin-1-ylethoxy)-N-[4-(trifluoromethoxy)phenyl]quinolin-2-amine;2-[4-[(8-chloroquinolin-2-yl)amino]phenoxy]ethanol;1-N-(8-chloroquinolin-2-yl)-4-(trifluoromethoxy)benzene-1,2-diamine?

The IUPAC name of 8-chloro-N-(3-chloro-4-methoxyphenyl)-5-(2-morpholin-4-ylethoxy)quinolin-2-amine;8-chloro-N-(3-chloro-4-methoxyphenyl)quinolin-2-amine;8-chloro-2-[3-chloro-4-(trifluoromethoxy)anilino]-5-(dimethylsulfamoylamino)quinoline;8-chloro-N-[3-chloro-4-(trifluoromethoxy)phenyl]-5-(2-piperidin-1-ylethoxy)quinolin-2-amine;8-chloro-5-(2-piperidin-1-ylethoxy)-N-[4-(trifluoromethoxy)phenyl]quinolin-2-amine;2-[4-[(8-chloroquinolin-2-yl)amino]phenoxy]ethanol;1-N-(8-chloroquinolin-2-yl)-4-(trifluoromethoxy)benzene-1,2-diamine (CID 163867076) is 8-chloro-N-(3-chloro-4-methoxyphenyl)-5-(2-morpholin-4-ylethoxy)quinolin-2-amine;8-chloro-N-(3-chloro-4-methoxyphenyl)quinolin-2-amine;8-chloro-2-[3-chloro-4-(trifluoromethoxy)anilino]-5-(dimethylsulfamoylamino)quinoline;8-chloro-N-[3-chloro-4-(trifluoromethoxy)phenyl]-5-(2-piperidin-1-ylethoxy)quinolin-2-amine;8-chloro-5-(2-piperidin-1-ylethoxy)-N-[4-(trifluoromethoxy)phenyl]quinolin-2-amine;2-[4-[(8-chloroquinolin-2-yl)amino]phenoxy]ethanol;1-N-(8-chloroquinolin-2-yl)-4-(trifluoromethoxy)benzene-1,2-diamine.

What is the SMILES notation for 8-chloro-N-(3-chloro-4-methoxyphenyl)-5-(2-morpholin-4-ylethoxy)quinolin-2-amine;8-chloro-N-(3-chloro-4-methoxyphenyl)quinolin-2-amine;8-chloro-2-[3-chloro-4-(trifluoromethoxy)anilino]-5-(dimethylsulfamoylamino)quinoline;8-chloro-N-[3-chloro-4-(trifluoromethoxy)phenyl]-5-(2-piperidin-1-ylethoxy)quinolin-2-amine;8-chloro-5-(2-piperidin-1-ylethoxy)-N-[4-(trifluoromethoxy)phenyl]quinolin-2-amine;2-[4-[(8-chloroquinolin-2-yl)amino]phenoxy]ethanol;1-N-(8-chloroquinolin-2-yl)-4-(trifluoromethoxy)benzene-1,2-diamine?

The canonical SMILES for 8-chloro-N-(3-chloro-4-methoxyphenyl)-5-(2-morpholin-4-ylethoxy)quinolin-2-amine;8-chloro-N-(3-chloro-4-methoxyphenyl)quinolin-2-amine;8-chloro-2-[3-chloro-4-(trifluoromethoxy)anilino]-5-(dimethylsulfamoylamino)quinoline;8-chloro-N-[3-chloro-4-(trifluoromethoxy)phenyl]-5-(2-piperidin-1-ylethoxy)quinolin-2-amine;8-chloro-5-(2-piperidin-1-ylethoxy)-N-[4-(trifluoromethoxy)phenyl]quinolin-2-amine;2-[4-[(8-chloroquinolin-2-yl)amino]phenoxy]ethanol;1-N-(8-chloroquinolin-2-yl)-4-(trifluoromethoxy)benzene-1,2-diamine is CN(C)S(=O)(=O)Nc1ccc(Cl)c2nc(Nc3ccc(OC(F)(F)F)c(Cl)c3)ccc12.COc1ccc(Nc2ccc3c(OCCN4CCOCC4)ccc(Cl)c3n2)cc1Cl.COc1ccc(Nc2ccc3cccc(Cl)c3n2)cc1Cl.FC(F)(F)Oc1ccc(Nc2ccc3c(OCCN4CCCCC4)ccc(Cl)c3n2)cc1.FC(F)(F)Oc1ccc(Nc2ccc3c(OCCN4CCCCC4)ccc(Cl)c3n2)cc1Cl.Nc1cc(OC(F)(F)F)ccc1Nc1ccc2cccc(Cl)c2n1.OCCOc1ccc(Nc2ccc3cccc(Cl)c3n2)cc1.

What is the InChIKey of 8-chloro-N-(3-chloro-4-methoxyphenyl)-5-(2-morpholin-4-ylethoxy)quinolin-2-amine;8-chloro-N-(3-chloro-4-methoxyphenyl)quinolin-2-amine;8-chloro-2-[3-chloro-4-(trifluoromethoxy)anilino]-5-(dimethylsulfamoylamino)quinoline;8-chloro-N-[3-chloro-4-(trifluoromethoxy)phenyl]-5-(2-piperidin-1-ylethoxy)quinolin-2-amine;8-chloro-5-(2-piperidin-1-ylethoxy)-N-[4-(trifluoromethoxy)phenyl]quinolin-2-amine;2-[4-[(8-chloroquinolin-2-yl)amino]phenoxy]ethanol;1-N-(8-chloroquinolin-2-yl)-4-(trifluoromethoxy)benzene-1,2-diamine?

The InChIKey is PHODIPCTMPUVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22Cl2F3N3O2.C23H23ClF3N3O2.C22H23Cl2N3O3.C18H15Cl2F3N4O3S.C17H15ClN2O2.C16H12Cl2N2O.C16H11ClF3N3O/c24-17-6-8-19(32-13-12-31-10-2-1-3-11-31)16-5-9-21(30-22(16)17)29-15-4-7-20(18(25)14-15)33-23(26,27)28;24-19-9-10-20(31-15-14-30-12-2-1-3-13-30)18-8-11-21(29-22(18)19)28-16-4-6-17(7-5-16)32-23(25,26)27;1-28-20-5-2-15(14-18(20)24)25-21-7-3-16-19(6-4-17(23)22(16)26-21)30-13-10-27-8-11-29-12-9-27;1-27(2)31(28,29)26-14-6-5-12(19)17-11(14)4-8-16(25-17)24-10-3-7-15(13(20)9-10)30-18(21,22)23;18-15-3-1-2-12-4-9-16(20-17(12)15)19-13-5-7-14(8-6-13)22-11-10-21;1-21-14-7-6-11(9-13(14)18)19-15-8-5-10-3-2-4-12(17)16(10)20-15;17-11-3-1-2-9-4-7-14(23-15(9)11)22-13-6-5-10(8-12(13)21)24-16(18,19)20/h4-9,14H,1-3,10-13H2,(H,29,30);4-11H,1-3,12-15H2,(H,28,29);2-7,14H,8-13H2,1H3,(H,25,26);3-9,26H,1-2H3,(H,24,25);1-9,21H,10-11H2,(H,19,20);2-9H,1H3,(H,19,20);1-8H,21H2,(H,22,23).

What are the key properties of 8-chloro-N-(3-chloro-4-methoxyphenyl)-5-(2-morpholin-4-ylethoxy)quinolin-2-amine;8-chloro-N-(3-chloro-4-methoxyphenyl)quinolin-2-amine;8-chloro-2-[3-chloro-4-(trifluoromethoxy)anilino]-5-(dimethylsulfamoylamino)quinoline;8-chloro-N-[3-chloro-4-(trifluoromethoxy)phenyl]-5-(2-piperidin-1-ylethoxy)quinolin-2-amine;8-chloro-5-(2-piperidin-1-ylethoxy)-N-[4-(trifluoromethoxy)phenyl]quinolin-2-amine;2-[4-[(8-chloroquinolin-2-yl)amino]phenoxy]ethanol;1-N-(8-chloroquinolin-2-yl)-4-(trifluoromethoxy)benzene-1,2-diamine?

8-chloro-N-(3-chloro-4-methoxyphenyl)-5-(2-morpholin-4-ylethoxy)quinolin-2-amine;8-chloro-N-(3-chloro-4-methoxyphenyl)quinolin-2-amine;8-chloro-2-[3-chloro-4-(trifluoromethoxy)anilino]-5-(dimethylsulfamoylamino)quinoline;8-chloro-N-[3-chloro-4-(trifluoromethoxy)phenyl]-5-(2-piperidin-1-ylethoxy)quinolin-2-amine;8-chloro-5-(2-piperidin-1-ylethoxy)-N-[4-(trifluoromethoxy)phenyl]quinolin-2-amine;2-[4-[(8-chloroquinolin-2-yl)amino]phenoxy]ethanol;1-N-(8-chloroquinolin-2-yl)-4-(trifluoromethoxy)benzene-1,2-diamine has a molecular weight of 2897.60 g/mol, XLogP of 38.26, 38 rotatable bonds, 10 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 8-chloro-N-(3-chloro-4-methoxyphenyl)-5-(2-morpholin-4-ylethoxy)quinolin-2-amine;8-chloro-N-(3-chloro-4-methoxyphenyl)quinolin-2-amine;8-chloro-2-[3-chloro-4-(trifluoromethoxy)anilino]-5-(dimethylsulfamoylamino)quinoline;8-chloro-N-[3-chloro-4-(trifluoromethoxy)phenyl]-5-(2-piperidin-1-ylethoxy)quinolin-2-amine;8-chloro-5-(2-piperidin-1-ylethoxy)-N-[4-(trifluoromethoxy)phenyl]quinolin-2-amine;2-[4-[(8-chloroquinolin-2-yl)amino]phenoxy]ethanol;1-N-(8-chloroquinolin-2-yl)-4-(trifluoromethoxy)benzene-1,2-diamine is sourced from PubChem (CID 163867076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).