1-[(2S,4R)-4-(3-methoxyanilino)-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;methyl 4-[[(2S,4R)-1-acetyl-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-4-yl]amino]-3-methoxybenzoate;1-[(2S,4R)-2-methyl-4-[4-(methylaminomethyl)anilino]-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-4-(4-methylanilino)-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-6-(3-methylphenyl)-4-[3-(trifluoromethoxy)anilino]-3,4-dihydro-2H-quinolin-1-yl]ethanone

C133H142F3N11O10 — CID 160995268

IUPAC1-[(2S,4R)-4-(3-methoxyanilino)-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;methyl 4-[[(2S,4R)-1-acetyl-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-4-yl]amino]-3-methoxybenzoate;1-[(2S,4R)-2-methyl-4-[4-(methylaminomethyl)anilino]-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-4-(4-methylanilino)-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-6-(3-methylphenyl)-4-[3-(trifluoromethoxy)anilino]-3,4-dihydro-2H-quinolin-1-yl]ethanone
SMILESCC(=O)N1c2ccc(-c3cccc(C)c3)cc2[C@H](Nc2ccc(C)cc2)C[C@@H]1C.CC(=O)N1c2ccc(-c3cccc(C)c3)cc2[C@H](Nc2cccc(OC(F)(F)F)c2)C[C@@H]1C.CNCc1ccc(N[C@@H]2C[C@H](C)N(C(C)=O)c3ccc(-c4cccc(C)c4)cc32)cc1.COC(=O)c1ccc(N[C@@H]2C[C@H](C)N(C(C)=O)c3ccc(-c4cccc(C)c4)cc32)c(OC)c1.COc1cccc(N[C@@H]2C[C@H](C)N(C(C)=O)c3ccc(-c4cccc(C)c4)cc32)c1
InChIInChI=1S/C28H30N2O4.C27H31N3O.C26H25F3N2O2.C26H28N2O2.C26H28N2O/c1-17-7-6-8-20(13-17)21-10-12-26-23(15-21)25(14-18(2)30(26)19(3)31)29-24-11-9-22(28(32)34-5)16-27(24)33-4;1-18-6-5-7-22(14-18)23-10-13-27-25(16-23)26(15-19(2)30(27)20(3)31)29-24-11-8-21(9-12-24)17-28-4;1-16-6-4-7-19(12-16)20-10-11-25-23(14-20)24(13-17(2)31(25)18(3)32)30-21-8-5-9-22(15-21)33-26(27,28)29;1-17-7-5-8-20(13-17)21-11-12-26-24(15-21)25(14-18(2)28(26)19(3)29)27-22-9-6-10-23(16-22)30-4;1-17-8-11-23(12-9-17)27-25-15-19(3)28(20(4)29)26-13-10-22(16-24(25)26)21-7-5-6-18(2)14-21/h6-13,15-16,18,25,29H,14H2,1-5H3;5-14,16,19,26,28-29H,15,17H2,1-4H3;4-12,14-15,17,24,30H,13H2,1-3H3;5-13,15-16,18,25,27H,14H2,1-4H3;5-14,16,19,25,27H,15H2,1-4H3/t18-,25+;19-,26+;17-,24+;18-,25+;19-,25+/m00000/s1
InChIKeyTVDVCUWBANOGEA-HPYSTSQXSA-N
MW2111.66 g/mol
LogP30.53
Rot. Bonds21

About 1-[(2S,4R)-4-(3-methoxyanilino)-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;methyl 4-[[(2S,4R)-1-acetyl-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-4-yl]amino]-3-methoxybenzoate;1-[(2S,4R)-2-methyl-4-[4-(methylaminomethyl)anilino]-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-4-(4-methylanilino)-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-6-(3-methylphenyl)-4-[3-(trifluoromethoxy)anilino]-3,4-dihydro-2H-quinolin-1-yl]ethanone

1-[(2S,4R)-4-(3-methoxyanilino)-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;methyl 4-[[(2S,4R)-1-acetyl-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-4-yl]amino]-3-methoxybenzoate;1-[(2S,4R)-2-methyl-4-[4-(methylaminomethyl)anilino]-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-4-(4-methylanilino)-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-6-(3-methylphenyl)-4-[3-(trifluoromethoxy)anilino]-3,4-dihydro-2H-quinolin-1-yl]ethanone (PubChem CID 160995268) has the molecular formula C133H142F3N11O10 and a molecular weight of 2111.66 g/mol. Its IUPAC name is 1-[(2S,4R)-4-(3-methoxyanilino)-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;methyl 4-[[(2S,4R)-1-acetyl-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-4-yl]amino]-3-methoxybenzoate;1-[(2S,4R)-2-methyl-4-[4-(methylaminomethyl)anilino]-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-4-(4-methylanilino)-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-6-(3-methylphenyl)-4-[3-(trifluoromethoxy)anilino]-3,4-dihydro-2H-quinolin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2S,4R)-4-(3-methoxyanilino)-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;methyl 4-[[(2S,4R)-1-acetyl-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-4-yl]amino]-3-methoxybenzoate;1-[(2S,4R)-2-methyl-4-[4-(methylaminomethyl)anilino]-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-4-(4-methylanilino)-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-6-(3-methylphenyl)-4-[3-(trifluoromethoxy)anilino]-3,4-dihydro-2H-quinolin-1-yl]ethanone
PubChem CID160995268
Molecular FormulaC133H142F3N11O10
Molecular Weight2111.66 g/mol
Exact Mass2110.09
IUPAC Name1-[(2S,4R)-4-(3-methoxyanilino)-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;methyl 4-[[(2S,4R)-1-acetyl-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-4-yl]amino]-3-methoxybenzoate;1-[(2S,4R)-2-methyl-4-[4-(methylaminomethyl)anilino]-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-4-(4-methylanilino)-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-6-(3-methylphenyl)-4-[3-(trifluoromethoxy)anilino]-3,4-dihydro-2H-quinolin-1-yl]ethanone
SMILESCC(=O)N1c2ccc(-c3cccc(C)c3)cc2[C@H](Nc2ccc(C)cc2)C[C@@H]1C.CC(=O)N1c2ccc(-c3cccc(C)c3)cc2[C@H](Nc2cccc(OC(F)(F)F)c2)C[C@@H]1C.CNCc1ccc(N[C@@H]2C[C@H](C)N(C(C)=O)c3ccc(-c4cccc(C)c4)cc32)cc1.COC(=O)c1ccc(N[C@@H]2C[C@H](C)N(C(C)=O)c3ccc(-c4cccc(C)c4)cc32)c(OC)c1.COc1cccc(N[C@@H]2C[C@H](C)N(C(C)=O)c3ccc(-c4cccc(C)c4)cc32)c1
InChIInChI=1S/C28H30N2O4.C27H31N3O.C26H25F3N2O2.C26H28N2O2.C26H28N2O/c1-17-7-6-8-20(13-17)21-10-12-26-23(15-21)25(14-18(2)30(26)19(3)31)29-24-11-9-22(28(32)34-5)16-27(24)33-4;1-18-6-5-7-22(14-18)23-10-13-27-25(16-23)26(15-19(2)30(27)20(3)31)29-24-11-8-21(9-12-24)17-28-4;1-16-6-4-7-19(12-16)20-10-11-25-23(14-20)24(13-17(2)31(25)18(3)32)30-21-8-5-9-22(15-21)33-26(27,28)29;1-17-7-5-8-20(13-17)21-11-12-26-24(15-21)25(14-18(2)28(26)19(3)29)27-22-9-6-10-23(16-22)30-4;1-17-8-11-23(12-9-17)27-25-15-19(3)28(20(4)29)26-13-10-22(16-24(25)26)21-7-5-6-18(2)14-21/h6-13,15-16,18,25,29H,14H2,1-5H3;5-14,16,19,26,28-29H,15,17H2,1-4H3;4-12,14-15,17,24,30H,13H2,1-3H3;5-13,15-16,18,25,27H,14H2,1-4H3;5-14,16,19,25,27H,15H2,1-4H3/t18-,25+;19-,26+;17-,24+;18-,25+;19-,25+/m00000/s1
InChIKeyTVDVCUWBANOGEA-HPYSTSQXSA-N
XLogP30.53
TPSA227.72 Ų
H-Bond Donors6
H-Bond Acceptors16
Rotatable Bonds21
Heavy Atoms157
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002111.66
LogP ≤ 530.53
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1016

Analyze 1-[(2S,4R)-4-(3-methoxyanilino)-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;methyl 4-[[(2S,4R)-1-acetyl-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-4-yl]amino]-3-methoxybenzoate;1-[(2S,4R)-2-methyl-4-[4-(methylaminomethyl)anilino]-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-4-(4-methylanilino)-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-6-(3-methylphenyl)-4-[3-(trifluoromethoxy)anilino]-3,4-dihydro-2H-quinolin-1-yl]ethanone with MolForge

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Related Compounds

4-[4-[(1-benzylpiperidin-4-yl)carbamoyl]anilino]-8-methoxy-1-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-2H-quinoline-3-carboxamide
CID 19067871
4-[[3-(2-amino-2-oxoethyl)-8-methoxy-1-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-2H-quinolin-4-yl]amino]-N-(1-benzylpiperidin-4-yl)benzamide
CID 139757152
4-[7-(4,4-difluoropiperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-2-methoxybenzoic acid;4-[7-(4,4-difluoropiperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-2-methoxy-N-methylbenzamide
CID 154984009
1-[(2S,4R)-4-(4-fluoro-2-methoxyanilino)-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-4-(2-methoxyanilino)-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;methyl 4-[[(2S,4R)-1-acetyl-6-[3-(cyclopentylamino)phenyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;methyl 4-[[(2S,4R)-1-acetyl-6-[3-(cyclopentylmethylamino)phenyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;1-[(2S,4R)-2-methyl-6-(3-methylphenyl)-4-[2-(trifluoromethyl)anilino]-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 158326968
N-[3-[(2S,4R)-1-acetyl-4-(4-ethynyl-3,5-difluoroanilino)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[(2S,4R)-1-acetyl-4-(4-ethynyl-3-fluoroanilino)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[(2S,4R)-1-acetyl-4-(4-ethynyl-2-methoxyanilino)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[(2S,4R)-1-acetyl-4-(4-ethynyl-3-methoxyanilino)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[(2S,4R)-1-acetyl-4-[4-ethynyl-3-(trifluoromethyl)anilino]-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide
CID 159304651
N-[3-[(2S,4R)-1-acetyl-4-[3-(1,1-difluoroethyl)anilino]-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[1-acetyl-4-(2-methoxyanilino)-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[1-acetyl-4-(3-methoxyanilino)-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[1-acetyl-4-(4-methoxyanilino)-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;tert-butyl 4-[[(2S,4R)-6-(3-acetamidophenyl)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate
CID 159825772
1-[(2S,4R)-4-(2-methoxy-4-methylanilino)-2-methyl-6-(3-propoxyphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-4-(2-methoxy-4-methylanilino)-2-methyl-6-[3-[(2,2,2-trifluoroethylamino)methyl]phenyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone;methyl 4-[[(2S,4R)-1-acetyl-2-methyl-6-[3-(2-morpholin-4-ylethoxy)phenyl]-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;1-[(2S,4R)-2-methyl-6-(3-propoxyphenyl)-4-[2-(trifluoromethoxy)anilino]-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 160078671
tris(methyl (2S)-2-[(2,6-difluorobenzoyl)amino]-3-[5-(6-fluoro-1,4-dimethyl-2-oxoquinolin-3-yl)-3,4-dihydro-1H-isochromen-8-yl]propanoate);methyl (2S)-2-[[2,6-difluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-(6-fluoro-1,4-dimethyl-2-oxoquinolin-3-yl)-3,4-dihydro-2H-chromen-5-yl]propanoate
CID 160228594
methyl 4-[[(2S,4R)-1-acetyl-6-(3-butoxyphenyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;methyl 4-[[(2S,4R)-1-acetyl-2-methyl-6-[3-(2-morpholin-4-ylethoxy)phenyl]-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;methyl 4-[[(2S,4R)-1-acetyl-2-methyl-6-(3-pentoxyphenyl)-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;1-[(2S,4R)-2-methyl-6-(3-propoxyphenyl)-4-[2-(trifluoromethoxy)anilino]-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 160673419
1-[(2S,4R)-4-(3-methoxyanilino)-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-4-(4-methoxyanilino)-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-4-[4-(methylaminomethyl)anilino]-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-4-(4-methylanilino)-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-6-(3-methylphenyl)-4-[3-(trifluoromethoxy)anilino]-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 160977942
methyl (2S)-2-[[2,6-difluoro-4-[[(2R)-1,1,1-trifluorobutan-2-yl]amino]benzoyl]amino]-3-[8-(6-fluoro-1,4-dimethyl-2-oxoquinolin-3-yl)-3,4-dihydro-2H-chromen-5-yl]propanoate;methyl (2S)-2-[[2,6-difluoro-4-[[(2R)-1,1,1-trifluorobutan-2-yl]amino]benzoyl]amino]-3-[8-(1-methyl-2-oxoquinolin-3-yl)-3,4-dihydro-2H-chromen-5-yl]propanoate;methyl (2S)-2-[[2,6-difluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-(1-methyl-2-oxoquinolin-3-yl)-3,4-dihydro-2H-chromen-5-yl]propanoate
CID 161897010
methyl 4-[[(2S,4R)-6-(3-acetamidophenyl)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]-3-methoxybenzoate
CID 135124873

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,4R)-4-(3-methoxyanilino)-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;methyl 4-[[(2S,4R)-1-acetyl-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-4-yl]amino]-3-methoxybenzoate;1-[(2S,4R)-2-methyl-4-[4-(methylaminomethyl)anilino]-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-4-(4-methylanilino)-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-6-(3-methylphenyl)-4-[3-(trifluoromethoxy)anilino]-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The IUPAC name of 1-[(2S,4R)-4-(3-methoxyanilino)-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;methyl 4-[[(2S,4R)-1-acetyl-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-4-yl]amino]-3-methoxybenzoate;1-[(2S,4R)-2-methyl-4-[4-(methylaminomethyl)anilino]-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-4-(4-methylanilino)-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-6-(3-methylphenyl)-4-[3-(trifluoromethoxy)anilino]-3,4-dihydro-2H-quinolin-1-yl]ethanone (CID 160995268) is 1-[(2S,4R)-4-(3-methoxyanilino)-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;methyl 4-[[(2S,4R)-1-acetyl-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-4-yl]amino]-3-methoxybenzoate;1-[(2S,4R)-2-methyl-4-[4-(methylaminomethyl)anilino]-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-4-(4-methylanilino)-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-6-(3-methylphenyl)-4-[3-(trifluoromethoxy)anilino]-3,4-dihydro-2H-quinolin-1-yl]ethanone.
What is the SMILES notation for 1-[(2S,4R)-4-(3-methoxyanilino)-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;methyl 4-[[(2S,4R)-1-acetyl-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-4-yl]amino]-3-methoxybenzoate;1-[(2S,4R)-2-methyl-4-[4-(methylaminomethyl)anilino]-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-4-(4-methylanilino)-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-6-(3-methylphenyl)-4-[3-(trifluoromethoxy)anilino]-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The canonical SMILES for 1-[(2S,4R)-4-(3-methoxyanilino)-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;methyl 4-[[(2S,4R)-1-acetyl-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-4-yl]amino]-3-methoxybenzoate;1-[(2S,4R)-2-methyl-4-[4-(methylaminomethyl)anilino]-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-4-(4-methylanilino)-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-6-(3-methylphenyl)-4-[3-(trifluoromethoxy)anilino]-3,4-dihydro-2H-quinolin-1-yl]ethanone is CC(=O)N1c2ccc(-c3cccc(C)c3)cc2[C@H](Nc2ccc(C)cc2)C[C@@H]1C.CC(=O)N1c2ccc(-c3cccc(C)c3)cc2[C@H](Nc2cccc(OC(F)(F)F)c2)C[C@@H]1C.CNCc1ccc(N[C@@H]2C[C@H](C)N(C(C)=O)c3ccc(-c4cccc(C)c4)cc32)cc1.COC(=O)c1ccc(N[C@@H]2C[C@H](C)N(C(C)=O)c3ccc(-c4cccc(C)c4)cc32)c(OC)c1.COc1cccc(N[C@@H]2C[C@H](C)N(C(C)=O)c3ccc(-c4cccc(C)c4)cc32)c1.
What is the InChIKey of 1-[(2S,4R)-4-(3-methoxyanilino)-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;methyl 4-[[(2S,4R)-1-acetyl-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-4-yl]amino]-3-methoxybenzoate;1-[(2S,4R)-2-methyl-4-[4-(methylaminomethyl)anilino]-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-4-(4-methylanilino)-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-6-(3-methylphenyl)-4-[3-(trifluoromethoxy)anilino]-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The InChIKey is TVDVCUWBANOGEA-HPYSTSQXSA-N. The full InChI is InChI=1S/C28H30N2O4.C27H31N3O.C26H25F3N2O2.C26H28N2O2.C26H28N2O/c1-17-7-6-8-20(13-17)21-10-12-26-23(15-21)25(14-18(2)30(26)19(3)31)29-24-11-9-22(28(32)34-5)16-27(24)33-4;1-18-6-5-7-22(14-18)23-10-13-27-25(16-23)26(15-19(2)30(27)20(3)31)29-24-11-8-21(9-12-24)17-28-4;1-16-6-4-7-19(12-16)20-10-11-25-23(14-20)24(13-17(2)31(25)18(3)32)30-21-8-5-9-22(15-21)33-26(27,28)29;1-17-7-5-8-20(13-17)21-11-12-26-24(15-21)25(14-18(2)28(26)19(3)29)27-22-9-6-10-23(16-22)30-4;1-17-8-11-23(12-9-17)27-25-15-19(3)28(20(4)29)26-13-10-22(16-24(25)26)21-7-5-6-18(2)14-21/h6-13,15-16,18,25,29H,14H2,1-5H3;5-14,16,19,26,28-29H,15,17H2,1-4H3;4-12,14-15,17,24,30H,13H2,1-3H3;5-13,15-16,18,25,27H,14H2,1-4H3;5-14,16,19,25,27H,15H2,1-4H3/t18-,25+;19-,26+;17-,24+;18-,25+;19-,25+/m00000/s1.
What are the key properties of 1-[(2S,4R)-4-(3-methoxyanilino)-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;methyl 4-[[(2S,4R)-1-acetyl-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-4-yl]amino]-3-methoxybenzoate;1-[(2S,4R)-2-methyl-4-[4-(methylaminomethyl)anilino]-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-4-(4-methylanilino)-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-6-(3-methylphenyl)-4-[3-(trifluoromethoxy)anilino]-3,4-dihydro-2H-quinolin-1-yl]ethanone?
1-[(2S,4R)-4-(3-methoxyanilino)-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;methyl 4-[[(2S,4R)-1-acetyl-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-4-yl]amino]-3-methoxybenzoate;1-[(2S,4R)-2-methyl-4-[4-(methylaminomethyl)anilino]-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-4-(4-methylanilino)-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-6-(3-methylphenyl)-4-[3-(trifluoromethoxy)anilino]-3,4-dihydro-2H-quinolin-1-yl]ethanone has a molecular weight of 2111.66 g/mol, XLogP of 30.53, 21 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,4R)-4-(3-methoxyanilino)-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;methyl 4-[[(2S,4R)-1-acetyl-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-4-yl]amino]-3-methoxybenzoate;1-[(2S,4R)-2-methyl-4-[4-(methylaminomethyl)anilino]-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-4-(4-methylanilino)-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-6-(3-methylphenyl)-4-[3-(trifluoromethoxy)anilino]-3,4-dihydro-2H-quinolin-1-yl]ethanone is sourced from PubChem (CID 160995268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).