2-amino-1-[7-chloro-2-(4-chlorophenyl)-8-methylquinolin-4-yl]ethanone;2-(benzylamino)-1-[7-chloro-2-(4-chlorophenyl)-8-methylquinolin-4-yl]ethanone;1-[7-chloro-2-(4-chlorophenyl)-8-methylquinolin-4-yl]-2-(dimethylamino)ethanol;1-[7-chloro-2-(4-chlorophenyl)-8-methylquinolin-4-yl]-2-(dipropylamino)ethanol;1-[7-chloro-2-(4-chlorophenyl)quinolin-4-yl]-2-(diethylamino)ethanol;(2-phenylbenzo[h]quinolin-4-yl)-piperidin-2-ylmethanol

C133H128Cl10N12O6 — CID 159218049

IUPAC2-amino-1-[7-chloro-2-(4-chlorophenyl)-8-methylquinolin-4-yl]ethanone;2-(benzylamino)-1-[7-chloro-2-(4-chlorophenyl)-8-methylquinolin-4-yl]ethanone;1-[7-chloro-2-(4-chlorophenyl)-8-methylquinolin-4-yl]-2-(dimethylamino)ethanol;1-[7-chloro-2-(4-chlorophenyl)-8-methylquinolin-4-yl]-2-(dipropylamino)ethanol;1-[7-chloro-2-(4-chlorophenyl)quinolin-4-yl]-2-(diethylamino)ethanol;(2-phenylbenzo[h]quinolin-4-yl)-piperidin-2-ylmethanol
SMILESCCCN(CCC)CC(O)c1cc(-c2ccc(Cl)cc2)nc2c(C)c(Cl)ccc12.CCN(CC)CC(O)c1cc(-c2ccc(Cl)cc2)nc2cc(Cl)ccc12.Cc1c(Cl)ccc2c(C(=O)CN)cc(-c3ccc(Cl)cc3)nc12.Cc1c(Cl)ccc2c(C(=O)CNCc3ccccc3)cc(-c3ccc(Cl)cc3)nc12.Cc1c(Cl)ccc2c(C(O)CN(C)C)cc(-c3ccc(Cl)cc3)nc12.OC(c1cc(-c2ccccc2)nc2c1ccc1ccccc12)C1CCCCN1
InChIInChI=1S/C25H20Cl2N2O.C25H24N2O.C24H28Cl2N2O.C21H22Cl2N2O.C20H20Cl2N2O.C18H14Cl2N2O/c1-16-22(27)12-11-20-21(24(30)15-28-14-17-5-3-2-4-6-17)13-23(29-25(16)20)18-7-9-19(26)10-8-18;28-25(22-12-6-7-15-26-22)21-16-23(18-9-2-1-3-10-18)27-24-19-11-5-4-8-17(19)13-14-20(21)24;1-4-12-28(13-5-2)15-23(29)20-14-22(17-6-8-18(25)9-7-17)27-24-16(3)21(26)11-10-19(20)24;1-3-25(4-2)13-21(26)18-12-19(14-5-7-15(22)8-6-14)24-20-11-16(23)9-10-17(18)20;1-12-17(22)9-8-15-16(19(25)11-24(2)3)10-18(23-20(12)15)13-4-6-14(21)7-5-13;1-10-15(20)7-6-13-14(17(23)9-21)8-16(22-18(10)13)11-2-4-12(19)5-3-11/h2-13,28H,14-15H2,1H3;1-5,8-11,13-14,16,22,25-26,28H,6-7,12,15H2;6-11,14,23,29H,4-5,12-13,15H2,1-3H3;5-12,21,26H,3-4,13H2,1-2H3;4-10,19,25H,11H2,1-3H3;2-8H,9,21H2,1H3
InChIKeyKRIGNJFTDWSDPO-UHFFFAOYSA-N
MW2345.09 g/mol
LogP33.75
Rot. Bonds30

About 2-amino-1-[7-chloro-2-(4-chlorophenyl)-8-methylquinolin-4-yl]ethanone;2-(benzylamino)-1-[7-chloro-2-(4-chlorophenyl)-8-methylquinolin-4-yl]ethanone;1-[7-chloro-2-(4-chlorophenyl)-8-methylquinolin-4-yl]-2-(dimethylamino)ethanol;1-[7-chloro-2-(4-chlorophenyl)-8-methylquinolin-4-yl]-2-(dipropylamino)ethanol;1-[7-chloro-2-(4-chlorophenyl)quinolin-4-yl]-2-(diethylamino)ethanol;(2-phenylbenzo[h]quinolin-4-yl)-piperidin-2-ylmethanol

2-amino-1-[7-chloro-2-(4-chlorophenyl)-8-methylquinolin-4-yl]ethanone;2-(benzylamino)-1-[7-chloro-2-(4-chlorophenyl)-8-methylquinolin-4-yl]ethanone;1-[7-chloro-2-(4-chlorophenyl)-8-methylquinolin-4-yl]-2-(dimethylamino)ethanol;1-[7-chloro-2-(4-chlorophenyl)-8-methylquinolin-4-yl]-2-(dipropylamino)ethanol;1-[7-chloro-2-(4-chlorophenyl)quinolin-4-yl]-2-(diethylamino)ethanol;(2-phenylbenzo[h]quinolin-4-yl)-piperidin-2-ylmethanol (PubChem CID 159218049) has the molecular formula C133H128Cl10N12O6 and a molecular weight of 2345.09 g/mol. Its IUPAC name is 2-amino-1-[7-chloro-2-(4-chlorophenyl)-8-methylquinolin-4-yl]ethanone;2-(benzylamino)-1-[7-chloro-2-(4-chlorophenyl)-8-methylquinolin-4-yl]ethanone;1-[7-chloro-2-(4-chlorophenyl)-8-methylquinolin-4-yl]-2-(dimethylamino)ethanol;1-[7-chloro-2-(4-chlorophenyl)-8-methylquinolin-4-yl]-2-(dipropylamino)ethanol;1-[7-chloro-2-(4-chlorophenyl)quinolin-4-yl]-2-(diethylamino)ethanol;(2-phenylbenzo[h]quinolin-4-yl)-piperidin-2-ylmethanol.

Molecular Properties

Compound Name2-amino-1-[7-chloro-2-(4-chlorophenyl)-8-methylquinolin-4-yl]ethanone;2-(benzylamino)-1-[7-chloro-2-(4-chlorophenyl)-8-methylquinolin-4-yl]ethanone;1-[7-chloro-2-(4-chlorophenyl)-8-methylquinolin-4-yl]-2-(dimethylamino)ethanol;1-[7-chloro-2-(4-chlorophenyl)-8-methylquinolin-4-yl]-2-(dipropylamino)ethanol;1-[7-chloro-2-(4-chlorophenyl)quinolin-4-yl]-2-(diethylamino)ethanol;(2-phenylbenzo[h]quinolin-4-yl)-piperidin-2-ylmethanol
PubChem CID159218049
Molecular FormulaC133H128Cl10N12O6
Molecular Weight2345.09 g/mol
Exact Mass2338.70
IUPAC Name2-amino-1-[7-chloro-2-(4-chlorophenyl)-8-methylquinolin-4-yl]ethanone;2-(benzylamino)-1-[7-chloro-2-(4-chlorophenyl)-8-methylquinolin-4-yl]ethanone;1-[7-chloro-2-(4-chlorophenyl)-8-methylquinolin-4-yl]-2-(dimethylamino)ethanol;1-[7-chloro-2-(4-chlorophenyl)-8-methylquinolin-4-yl]-2-(dipropylamino)ethanol;1-[7-chloro-2-(4-chlorophenyl)quinolin-4-yl]-2-(diethylamino)ethanol;(2-phenylbenzo[h]quinolin-4-yl)-piperidin-2-ylmethanol
SMILESCCCN(CCC)CC(O)c1cc(-c2ccc(Cl)cc2)nc2c(C)c(Cl)ccc12.CCN(CC)CC(O)c1cc(-c2ccc(Cl)cc2)nc2cc(Cl)ccc12.Cc1c(Cl)ccc2c(C(=O)CN)cc(-c3ccc(Cl)cc3)nc12.Cc1c(Cl)ccc2c(C(=O)CNCc3ccccc3)cc(-c3ccc(Cl)cc3)nc12.Cc1c(Cl)ccc2c(C(O)CN(C)C)cc(-c3ccc(Cl)cc3)nc12.OC(c1cc(-c2ccccc2)nc2c1ccc1ccccc12)C1CCCCN1
InChIInChI=1S/C25H20Cl2N2O.C25H24N2O.C24H28Cl2N2O.C21H22Cl2N2O.C20H20Cl2N2O.C18H14Cl2N2O/c1-16-22(27)12-11-20-21(24(30)15-28-14-17-5-3-2-4-6-17)13-23(29-25(16)20)18-7-9-19(26)10-8-18;28-25(22-12-6-7-15-26-22)21-16-23(18-9-2-1-3-10-18)27-24-19-11-5-4-8-17(19)13-14-20(21)24;1-4-12-28(13-5-2)15-23(29)20-14-22(17-6-8-18(25)9-7-17)27-24-16(3)21(26)11-10-19(20)24;1-3-25(4-2)13-21(26)18-12-19(14-5-7-15(22)8-6-14)24-20-11-16(23)9-10-17(18)20;1-12-17(22)9-8-15-16(19(25)11-24(2)3)10-18(23-20(12)15)13-4-6-14(21)7-5-13;1-10-15(20)7-6-13-14(17(23)9-21)8-16(22-18(10)13)11-2-4-12(19)5-3-11/h2-13,28H,14-15H2,1H3;1-5,8-11,13-14,16,22,25-26,28H,6-7,12,15H2;6-11,14,23,29H,4-5,12-13,15H2,1-3H3;5-12,21,26H,3-4,13H2,1-2H3;4-10,19,25H,11H2,1-3H3;2-8H,9,21H2,1H3
InChIKeyKRIGNJFTDWSDPO-UHFFFAOYSA-N
XLogP33.75
TPSA252.20 Ų
H-Bond Donors7
H-Bond Acceptors18
Rotatable Bonds30
Heavy Atoms161
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002345.09
LogP ≤ 533.75
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2-amino-1-[7-chloro-2-(4-chlorophenyl)-8-methylquinolin-4-yl]ethanone;2-(benzylamino)-1-[7-chloro-2-(4-chlorophenyl)-8-methylquinolin-4-yl]ethanone;1-[7-chloro-2-(4-chlorophenyl)-8-methylquinolin-4-yl]-2-(dimethylamino)ethanol;1-[7-chloro-2-(4-chlorophenyl)-8-methylquinolin-4-yl]-2-(dipropylamino)ethanol;1-[7-chloro-2-(4-chlorophenyl)quinolin-4-yl]-2-(diethylamino)ethanol;(2-phenylbenzo[h]quinolin-4-yl)-piperidin-2-ylmethanol 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 2-amino-1-[7-chloro-2-(4-chlorophenyl)-8-methylquinolin-4-yl]ethanone;2-(benzylamino)-1-[7-chloro-2-(4-chlorophenyl)-8-methylquinolin-4-yl]ethanone;1-[7-chloro-2-(4-chlorophenyl)-8-methylquinolin-4-yl]-2-(dimethylamino)ethanol;1-[7-chloro-2-(4-chlorophenyl)-8-methylquinolin-4-yl]-2-(dipropylamino)ethanol;1-[7-chloro-2-(4-chlorophenyl)quinolin-4-yl]-2-(diethylamino)ethanol;(2-phenylbenzo[h]quinolin-4-yl)-piperidin-2-ylmethanol?
The IUPAC name of 2-amino-1-[7-chloro-2-(4-chlorophenyl)-8-methylquinolin-4-yl]ethanone;2-(benzylamino)-1-[7-chloro-2-(4-chlorophenyl)-8-methylquinolin-4-yl]ethanone;1-[7-chloro-2-(4-chlorophenyl)-8-methylquinolin-4-yl]-2-(dimethylamino)ethanol;1-[7-chloro-2-(4-chlorophenyl)-8-methylquinolin-4-yl]-2-(dipropylamino)ethanol;1-[7-chloro-2-(4-chlorophenyl)quinolin-4-yl]-2-(diethylamino)ethanol;(2-phenylbenzo[h]quinolin-4-yl)-piperidin-2-ylmethanol (CID 159218049) is 2-amino-1-[7-chloro-2-(4-chlorophenyl)-8-methylquinolin-4-yl]ethanone;2-(benzylamino)-1-[7-chloro-2-(4-chlorophenyl)-8-methylquinolin-4-yl]ethanone;1-[7-chloro-2-(4-chlorophenyl)-8-methylquinolin-4-yl]-2-(dimethylamino)ethanol;1-[7-chloro-2-(4-chlorophenyl)-8-methylquinolin-4-yl]-2-(dipropylamino)ethanol;1-[7-chloro-2-(4-chlorophenyl)quinolin-4-yl]-2-(diethylamino)ethanol;(2-phenylbenzo[h]quinolin-4-yl)-piperidin-2-ylmethanol.
What is the SMILES notation for 2-amino-1-[7-chloro-2-(4-chlorophenyl)-8-methylquinolin-4-yl]ethanone;2-(benzylamino)-1-[7-chloro-2-(4-chlorophenyl)-8-methylquinolin-4-yl]ethanone;1-[7-chloro-2-(4-chlorophenyl)-8-methylquinolin-4-yl]-2-(dimethylamino)ethanol;1-[7-chloro-2-(4-chlorophenyl)-8-methylquinolin-4-yl]-2-(dipropylamino)ethanol;1-[7-chloro-2-(4-chlorophenyl)quinolin-4-yl]-2-(diethylamino)ethanol;(2-phenylbenzo[h]quinolin-4-yl)-piperidin-2-ylmethanol?
The canonical SMILES for 2-amino-1-[7-chloro-2-(4-chlorophenyl)-8-methylquinolin-4-yl]ethanone;2-(benzylamino)-1-[7-chloro-2-(4-chlorophenyl)-8-methylquinolin-4-yl]ethanone;1-[7-chloro-2-(4-chlorophenyl)-8-methylquinolin-4-yl]-2-(dimethylamino)ethanol;1-[7-chloro-2-(4-chlorophenyl)-8-methylquinolin-4-yl]-2-(dipropylamino)ethanol;1-[7-chloro-2-(4-chlorophenyl)quinolin-4-yl]-2-(diethylamino)ethanol;(2-phenylbenzo[h]quinolin-4-yl)-piperidin-2-ylmethanol is CCCN(CCC)CC(O)c1cc(-c2ccc(Cl)cc2)nc2c(C)c(Cl)ccc12.CCN(CC)CC(O)c1cc(-c2ccc(Cl)cc2)nc2cc(Cl)ccc12.Cc1c(Cl)ccc2c(C(=O)CN)cc(-c3ccc(Cl)cc3)nc12.Cc1c(Cl)ccc2c(C(=O)CNCc3ccccc3)cc(-c3ccc(Cl)cc3)nc12.Cc1c(Cl)ccc2c(C(O)CN(C)C)cc(-c3ccc(Cl)cc3)nc12.OC(c1cc(-c2ccccc2)nc2c1ccc1ccccc12)C1CCCCN1.
What is the InChIKey of 2-amino-1-[7-chloro-2-(4-chlorophenyl)-8-methylquinolin-4-yl]ethanone;2-(benzylamino)-1-[7-chloro-2-(4-chlorophenyl)-8-methylquinolin-4-yl]ethanone;1-[7-chloro-2-(4-chlorophenyl)-8-methylquinolin-4-yl]-2-(dimethylamino)ethanol;1-[7-chloro-2-(4-chlorophenyl)-8-methylquinolin-4-yl]-2-(dipropylamino)ethanol;1-[7-chloro-2-(4-chlorophenyl)quinolin-4-yl]-2-(diethylamino)ethanol;(2-phenylbenzo[h]quinolin-4-yl)-piperidin-2-ylmethanol?
The InChIKey is KRIGNJFTDWSDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20Cl2N2O.C25H24N2O.C24H28Cl2N2O.C21H22Cl2N2O.C20H20Cl2N2O.C18H14Cl2N2O/c1-16-22(27)12-11-20-21(24(30)15-28-14-17-5-3-2-4-6-17)13-23(29-25(16)20)18-7-9-19(26)10-8-18;28-25(22-12-6-7-15-26-22)21-16-23(18-9-2-1-3-10-18)27-24-19-11-5-4-8-17(19)13-14-20(21)24;1-4-12-28(13-5-2)15-23(29)20-14-22(17-6-8-18(25)9-7-17)27-24-16(3)21(26)11-10-19(20)24;1-3-25(4-2)13-21(26)18-12-19(14-5-7-15(22)8-6-14)24-20-11-16(23)9-10-17(18)20;1-12-17(22)9-8-15-16(19(25)11-24(2)3)10-18(23-20(12)15)13-4-6-14(21)7-5-13;1-10-15(20)7-6-13-14(17(23)9-21)8-16(22-18(10)13)11-2-4-12(19)5-3-11/h2-13,28H,14-15H2,1H3;1-5,8-11,13-14,16,22,25-26,28H,6-7,12,15H2;6-11,14,23,29H,4-5,12-13,15H2,1-3H3;5-12,21,26H,3-4,13H2,1-2H3;4-10,19,25H,11H2,1-3H3;2-8H,9,21H2,1H3.
What are the key properties of 2-amino-1-[7-chloro-2-(4-chlorophenyl)-8-methylquinolin-4-yl]ethanone;2-(benzylamino)-1-[7-chloro-2-(4-chlorophenyl)-8-methylquinolin-4-yl]ethanone;1-[7-chloro-2-(4-chlorophenyl)-8-methylquinolin-4-yl]-2-(dimethylamino)ethanol;1-[7-chloro-2-(4-chlorophenyl)-8-methylquinolin-4-yl]-2-(dipropylamino)ethanol;1-[7-chloro-2-(4-chlorophenyl)quinolin-4-yl]-2-(diethylamino)ethanol;(2-phenylbenzo[h]quinolin-4-yl)-piperidin-2-ylmethanol?
2-amino-1-[7-chloro-2-(4-chlorophenyl)-8-methylquinolin-4-yl]ethanone;2-(benzylamino)-1-[7-chloro-2-(4-chlorophenyl)-8-methylquinolin-4-yl]ethanone;1-[7-chloro-2-(4-chlorophenyl)-8-methylquinolin-4-yl]-2-(dimethylamino)ethanol;1-[7-chloro-2-(4-chlorophenyl)-8-methylquinolin-4-yl]-2-(dipropylamino)ethanol;1-[7-chloro-2-(4-chlorophenyl)quinolin-4-yl]-2-(diethylamino)ethanol;(2-phenylbenzo[h]quinolin-4-yl)-piperidin-2-ylmethanol has a molecular weight of 2345.09 g/mol, XLogP of 33.75, 30 rotatable bonds, 7 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[7-chloro-2-(4-chlorophenyl)-8-methylquinolin-4-yl]ethanone;2-(benzylamino)-1-[7-chloro-2-(4-chlorophenyl)-8-methylquinolin-4-yl]ethanone;1-[7-chloro-2-(4-chlorophenyl)-8-methylquinolin-4-yl]-2-(dimethylamino)ethanol;1-[7-chloro-2-(4-chlorophenyl)-8-methylquinolin-4-yl]-2-(dipropylamino)ethanol;1-[7-chloro-2-(4-chlorophenyl)quinolin-4-yl]-2-(diethylamino)ethanol;(2-phenylbenzo[h]quinolin-4-yl)-piperidin-2-ylmethanol is sourced from PubChem (CID 159218049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).