(1S)-1-[5-(4-chlorophenyl)-2-(cyclopropylamino)-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-2-(dimethylamino)-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-2-[3-(2-methoxyethoxy)propylamino]-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-(methylamino)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-(2-morpholin-4-ylethylamino)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-(pyridin-4-ylmethylamino)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one

C162H188Cl6N14O15 — CID 157236740

IUPAC(1S)-1-[5-(4-chlorophenyl)-2-(cyclopropylamino)-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-2-(dimethylamino)-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-2-[3-(2-methoxyethoxy)propylamino]-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-(methylamino)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-(2-morpholin-4-ylethylamino)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-(pyridin-4-ylmethylamino)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one
SMILESCC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(N(C)C)ccc2c1-c1ccc(Cl)cc1.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(NC3CC3)ccc2c1-c1ccc(Cl)cc1.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(NCCN3CCOCC3)ccc2c1-c1ccc(Cl)cc1.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(NCc3ccncc3)ccc2c1-c1ccc(Cl)cc1.CNc1ccc2c(-c3ccc(Cl)cc3)c([C@H](OC(C)(C)C)C(C)=O)c(C)cc2n1.COCCOCCCNc1ccc2c(-c3ccc(Cl)cc3)c([C@H](OC(C)(C)C)C(C)=O)c(C)cc2n1
InChIInChI=1S/C29H36ClN3O3.C29H30ClN3O2.C29H37ClN2O4.C26H29ClN2O2.C25H29ClN2O2.C24H27ClN2O2/c1-19-18-24-23(10-11-25(32-24)31-12-13-33-14-16-35-17-15-33)27(21-6-8-22(30)9-7-21)26(19)28(20(2)34)36-29(3,4)5;1-18-16-24-23(10-11-25(33-24)32-17-20-12-14-31-15-13-20)27(21-6-8-22(30)9-7-21)26(18)28(19(2)34)35-29(3,4)5;1-19-18-24-23(12-13-25(32-24)31-14-7-15-35-17-16-34-6)27(21-8-10-22(30)11-9-21)26(19)28(20(2)33)36-29(3,4)5;1-15-14-21-20(12-13-22(29-21)28-19-10-11-19)24(17-6-8-18(27)9-7-17)23(15)25(16(2)30)31-26(3,4)5;1-15-14-20-19(12-13-21(27-20)28(6)7)23(17-8-10-18(26)11-9-17)22(15)24(16(2)29)30-25(3,4)5;1-14-13-19-18(11-12-20(26-6)27-19)22(16-7-9-17(25)10-8-16)21(14)23(15(2)28)29-24(3,4)5/h6-11,18,28H,12-17H2,1-5H3,(H,31,32);6-16,28H,17H2,1-5H3,(H,32,33);8-13,18,28H,7,14-17H2,1-6H3,(H,31,32);6-9,12-14,19,25H,10-11H2,1-5H3,(H,28,29);8-14,24H,1-7H3;7-13,23H,1-6H3,(H,26,27)/t3*28-;25-;24-;23-/m111111/s1
InChIKeyAUSKVLRRGNJSOT-FOYPNKSWSA-N
MW2784.09 g/mol
LogP39.75
Rot. Bonds43

About (1S)-1-[5-(4-chlorophenyl)-2-(cyclopropylamino)-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-2-(dimethylamino)-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-2-[3-(2-methoxyethoxy)propylamino]-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-(methylamino)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-(2-morpholin-4-ylethylamino)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-(pyridin-4-ylmethylamino)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one

(1S)-1-[5-(4-chlorophenyl)-2-(cyclopropylamino)-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-2-(dimethylamino)-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-2-[3-(2-methoxyethoxy)propylamino]-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-(methylamino)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-(2-morpholin-4-ylethylamino)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-(pyridin-4-ylmethylamino)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one (PubChem CID 157236740) has the molecular formula C162H188Cl6N14O15 and a molecular weight of 2784.09 g/mol. Its IUPAC name is (1S)-1-[5-(4-chlorophenyl)-2-(cyclopropylamino)-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-2-(dimethylamino)-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-2-[3-(2-methoxyethoxy)propylamino]-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-(methylamino)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-(2-morpholin-4-ylethylamino)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-(pyridin-4-ylmethylamino)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one.

Molecular Properties

Compound Name(1S)-1-[5-(4-chlorophenyl)-2-(cyclopropylamino)-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-2-(dimethylamino)-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-2-[3-(2-methoxyethoxy)propylamino]-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-(methylamino)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-(2-morpholin-4-ylethylamino)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-(pyridin-4-ylmethylamino)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one
PubChem CID157236740
Molecular FormulaC162H188Cl6N14O15
Molecular Weight2784.09 g/mol
Exact Mass2779.25
IUPAC Name(1S)-1-[5-(4-chlorophenyl)-2-(cyclopropylamino)-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-2-(dimethylamino)-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-2-[3-(2-methoxyethoxy)propylamino]-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-(methylamino)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-(2-morpholin-4-ylethylamino)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-(pyridin-4-ylmethylamino)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one
SMILESCC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(N(C)C)ccc2c1-c1ccc(Cl)cc1.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(NC3CC3)ccc2c1-c1ccc(Cl)cc1.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(NCCN3CCOCC3)ccc2c1-c1ccc(Cl)cc1.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(NCc3ccncc3)ccc2c1-c1ccc(Cl)cc1.CNc1ccc2c(-c3ccc(Cl)cc3)c([C@H](OC(C)(C)C)C(C)=O)c(C)cc2n1.COCCOCCCNc1ccc2c(-c3ccc(Cl)cc3)c([C@H](OC(C)(C)C)C(C)=O)c(C)cc2n1
InChIInChI=1S/C29H36ClN3O3.C29H30ClN3O2.C29H37ClN2O4.C26H29ClN2O2.C25H29ClN2O2.C24H27ClN2O2/c1-19-18-24-23(10-11-25(32-24)31-12-13-33-14-16-35-17-15-33)27(21-6-8-22(30)9-7-21)26(19)28(20(2)34)36-29(3,4)5;1-18-16-24-23(10-11-25(33-24)32-17-20-12-14-31-15-13-20)27(21-6-8-22(30)9-7-21)26(18)28(19(2)34)35-29(3,4)5;1-19-18-24-23(12-13-25(32-24)31-14-7-15-35-17-16-34-6)27(21-8-10-22(30)11-9-21)26(19)28(20(2)33)36-29(3,4)5;1-15-14-21-20(12-13-22(29-21)28-19-10-11-19)24(17-6-8-18(27)9-7-17)23(15)25(16(2)30)31-26(3,4)5;1-15-14-20-19(12-13-21(27-20)28(6)7)23(17-8-10-18(26)11-9-17)22(15)24(16(2)29)30-25(3,4)5;1-14-13-19-18(11-12-20(26-6)27-19)22(16-7-9-17(25)10-8-16)21(14)23(15(2)28)29-24(3,4)5/h6-11,18,28H,12-17H2,1-5H3,(H,31,32);6-16,28H,17H2,1-5H3,(H,32,33);8-13,18,28H,7,14-17H2,1-6H3,(H,31,32);6-9,12-14,19,25H,10-11H2,1-5H3,(H,28,29);8-14,24H,1-7H3;7-13,23H,1-6H3,(H,26,27)/t3*28-;25-;24-;23-/m111111/s1
InChIKeyAUSKVLRRGNJSOT-FOYPNKSWSA-N
XLogP39.75
TPSA342.35 Ų
H-Bond Donors5
H-Bond Acceptors29
Rotatable Bonds43
Heavy Atoms197
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002784.09
LogP ≤ 539.75
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

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

Analyze (1S)-1-[5-(4-chlorophenyl)-2-(cyclopropylamino)-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-2-(dimethylamino)-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-2-[3-(2-methoxyethoxy)propylamino]-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-(methylamino)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-(2-morpholin-4-ylethylamino)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-(pyridin-4-ylmethylamino)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one with MolForge

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

Launch Full Analysis

Related Compounds

2-[5-(4-chlorophenyl)-2-(hydroxymethyl)-7-methylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
CID 66631533
6-methyl-4-N-(2-morpholin-4-ylethyl)-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112913144
N-cyclopropyl-4-methyl-3-[2-(2-morpholin-4-ylethylamino)quinolin-6-yl]benzamide
CID 58829076
ethyl (2S)-2-[5-(4-chlorophenyl)-7-methyl-2-[(2-methylanilino)methyl]quinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetate
CID 123828277
2-[7-(4-chlorophenyl)-2-[3-[1-(2-methoxyethyl)azetidin-3-yl]-1-methylindazol-5-yl]-5-methyl-1,3-benzothiazol-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
CID 155173183
2-[5-(4-chlorophenyl)-2-formyl-7-methylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
CID 87083554
(2S)-2-[5-(4-chlorophenyl)-2-ethoxycarbonyl-7-methylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
CID 56644639
2-[7-(4-chlorophenyl)-5-methyl-2-(2-morpholin-4-ylpyrimidin-4-yl)-1,3-benzothiazol-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
CID 123406378
[(2R)-2-[5-(4-chlorophenyl)-7-methyl-2-(methylaminomethyl)quinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]ethyl] 2,2-dimethylpropanoate
CID 66631401
[(2S)-2-[5-(4-chlorophenyl)-7-methyl-2-(piperidin-1-ylmethyl)quinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]ethyl] 2,2-dimethylpropanoate
CID 66631687
sodium;(2S)-2-[5-(4-chlorophenyl)-2-[(dimethylamino)methyl]-7-methylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;(2S)-2-[5-(4-chlorophenyl)-2-[(dimethylamino)methyl]-7-methylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]ethanol;[(2S)-2-[5-(4-chlorophenyl)-2-[(dimethylamino)methyl]-7-methylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]ethyl] 2,2-dimethylpropanoate;hydroxide
CID 159937492
methyl 4-methyl-6-(2-morpholin-4-ylethylamino)pyrimidine-2-carboxylate
CID 66287425

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-(4-chlorophenyl)-2-(cyclopropylamino)-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-2-(dimethylamino)-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-2-[3-(2-methoxyethoxy)propylamino]-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-(methylamino)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-(2-morpholin-4-ylethylamino)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-(pyridin-4-ylmethylamino)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one?
The IUPAC name of (1S)-1-[5-(4-chlorophenyl)-2-(cyclopropylamino)-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-2-(dimethylamino)-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-2-[3-(2-methoxyethoxy)propylamino]-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-(methylamino)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-(2-morpholin-4-ylethylamino)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-(pyridin-4-ylmethylamino)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one (CID 157236740) is (1S)-1-[5-(4-chlorophenyl)-2-(cyclopropylamino)-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-2-(dimethylamino)-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-2-[3-(2-methoxyethoxy)propylamino]-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-(methylamino)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-(2-morpholin-4-ylethylamino)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-(pyridin-4-ylmethylamino)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one.
What is the SMILES notation for (1S)-1-[5-(4-chlorophenyl)-2-(cyclopropylamino)-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-2-(dimethylamino)-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-2-[3-(2-methoxyethoxy)propylamino]-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-(methylamino)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-(2-morpholin-4-ylethylamino)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-(pyridin-4-ylmethylamino)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one?
The canonical SMILES for (1S)-1-[5-(4-chlorophenyl)-2-(cyclopropylamino)-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-2-(dimethylamino)-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-2-[3-(2-methoxyethoxy)propylamino]-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-(methylamino)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-(2-morpholin-4-ylethylamino)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-(pyridin-4-ylmethylamino)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one is CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(N(C)C)ccc2c1-c1ccc(Cl)cc1.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(NC3CC3)ccc2c1-c1ccc(Cl)cc1.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(NCCN3CCOCC3)ccc2c1-c1ccc(Cl)cc1.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(NCc3ccncc3)ccc2c1-c1ccc(Cl)cc1.CNc1ccc2c(-c3ccc(Cl)cc3)c([C@H](OC(C)(C)C)C(C)=O)c(C)cc2n1.COCCOCCCNc1ccc2c(-c3ccc(Cl)cc3)c([C@H](OC(C)(C)C)C(C)=O)c(C)cc2n1.
What is the InChIKey of (1S)-1-[5-(4-chlorophenyl)-2-(cyclopropylamino)-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-2-(dimethylamino)-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-2-[3-(2-methoxyethoxy)propylamino]-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-(methylamino)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-(2-morpholin-4-ylethylamino)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-(pyridin-4-ylmethylamino)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one?
The InChIKey is AUSKVLRRGNJSOT-FOYPNKSWSA-N. The full InChI is InChI=1S/C29H36ClN3O3.C29H30ClN3O2.C29H37ClN2O4.C26H29ClN2O2.C25H29ClN2O2.C24H27ClN2O2/c1-19-18-24-23(10-11-25(32-24)31-12-13-33-14-16-35-17-15-33)27(21-6-8-22(30)9-7-21)26(19)28(20(2)34)36-29(3,4)5;1-18-16-24-23(10-11-25(33-24)32-17-20-12-14-31-15-13-20)27(21-6-8-22(30)9-7-21)26(18)28(19(2)34)35-29(3,4)5;1-19-18-24-23(12-13-25(32-24)31-14-7-15-35-17-16-34-6)27(21-8-10-22(30)11-9-21)26(19)28(20(2)33)36-29(3,4)5;1-15-14-21-20(12-13-22(29-21)28-19-10-11-19)24(17-6-8-18(27)9-7-17)23(15)25(16(2)30)31-26(3,4)5;1-15-14-20-19(12-13-21(27-20)28(6)7)23(17-8-10-18(26)11-9-17)22(15)24(16(2)29)30-25(3,4)5;1-14-13-19-18(11-12-20(26-6)27-19)22(16-7-9-17(25)10-8-16)21(14)23(15(2)28)29-24(3,4)5/h6-11,18,28H,12-17H2,1-5H3,(H,31,32);6-16,28H,17H2,1-5H3,(H,32,33);8-13,18,28H,7,14-17H2,1-6H3,(H,31,32);6-9,12-14,19,25H,10-11H2,1-5H3,(H,28,29);8-14,24H,1-7H3;7-13,23H,1-6H3,(H,26,27)/t3*28-;25-;24-;23-/m111111/s1.
What are the key properties of (1S)-1-[5-(4-chlorophenyl)-2-(cyclopropylamino)-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-2-(dimethylamino)-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-2-[3-(2-methoxyethoxy)propylamino]-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-(methylamino)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-(2-morpholin-4-ylethylamino)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-(pyridin-4-ylmethylamino)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one?
(1S)-1-[5-(4-chlorophenyl)-2-(cyclopropylamino)-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-2-(dimethylamino)-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-2-[3-(2-methoxyethoxy)propylamino]-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-(methylamino)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-(2-morpholin-4-ylethylamino)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-(pyridin-4-ylmethylamino)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one has a molecular weight of 2784.09 g/mol, XLogP of 39.75, 43 rotatable bonds, 5 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-(4-chlorophenyl)-2-(cyclopropylamino)-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-2-(dimethylamino)-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-2-[3-(2-methoxyethoxy)propylamino]-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-(methylamino)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-(2-morpholin-4-ylethylamino)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-(pyridin-4-ylmethylamino)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one is sourced from PubChem (CID 157236740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).