1-[(2S,4R)-4-amino-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-4-(4-chloroanilino)-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 3-[[(2S,4R)-1-acetyl-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;1-[(2S,4R)-2-methyl-4-(4-methylanilino)-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone

C123H131ClN10O8 — CID 159934309

IUPAC1-[(2S,4R)-4-amino-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-4-(4-chloroanilino)-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 3-[[(2S,4R)-1-acetyl-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;1-[(2S,4R)-2-methyl-4-(4-methylanilino)-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
SMILESCC(=O)N1c2ccc(-c3cccc(C)c3)cc2[C@H](N)C[C@@H]1C.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](Nc2ccc(Cl)cc2)C[C@@H]1C.COC(=O)c1cccc(N[C@@H]2C[C@H](C)N(C(C)=O)c3ccc(-c4cccc(C)c4)cc32)c1.COc1ccccc1N[C@@H]1C[C@H](C)N(C(C)=O)c2ccc(-c3cccc(C)c3)cc21
InChIInChI=1S/C27H28N2O3.C26H28N2O2.C26H28N2O.C25H25ClN2O.C19H22N2O/c1-17-7-5-8-20(13-17)21-11-12-26-24(16-21)25(14-18(2)29(26)19(3)30)28-23-10-6-9-22(15-23)27(31)32-4;1-17-8-7-9-20(14-17)21-12-13-25-22(16-21)24(15-18(2)28(25)19(3)29)27-23-10-5-6-11-26(23)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;1-16-5-4-6-19(13-16)20-7-12-25-23(15-20)24(14-17(2)28(25)18(3)29)27-22-10-8-21(26)9-11-22;1-12-5-4-6-15(9-12)16-7-8-19-17(11-16)18(20)10-13(2)21(19)14(3)22/h5-13,15-16,18,25,28H,14H2,1-4H3;5-14,16,18,24,27H,15H2,1-4H3;5-14,16,19,25,27H,15H2,1-4H3;4-13,15,17,24,27H,14H2,1-3H3;4-9,11,13,18H,10,20H2,1-3H3/t18-,25+;18-,24+;19-,25+;17-,24+;13-,18+/m00000/s1
InChIKeyOAARCIZTYAJNFW-ILQWVZQUSA-N
MW1912.92 g/mol
LogP28.41
Rot. Bonds15

About 1-[(2S,4R)-4-amino-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-4-(4-chloroanilino)-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 3-[[(2S,4R)-1-acetyl-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;1-[(2S,4R)-2-methyl-4-(4-methylanilino)-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone

1-[(2S,4R)-4-amino-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-4-(4-chloroanilino)-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 3-[[(2S,4R)-1-acetyl-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;1-[(2S,4R)-2-methyl-4-(4-methylanilino)-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone (PubChem CID 159934309) has the molecular formula C123H131ClN10O8 and a molecular weight of 1912.92 g/mol. Its IUPAC name is 1-[(2S,4R)-4-amino-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-4-(4-chloroanilino)-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 3-[[(2S,4R)-1-acetyl-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;1-[(2S,4R)-2-methyl-4-(4-methylanilino)-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2S,4R)-4-amino-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-4-(4-chloroanilino)-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 3-[[(2S,4R)-1-acetyl-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;1-[(2S,4R)-2-methyl-4-(4-methylanilino)-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
PubChem CID159934309
Molecular FormulaC123H131ClN10O8
Molecular Weight1912.92 g/mol
Exact Mass1910.98
IUPAC Name1-[(2S,4R)-4-amino-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-4-(4-chloroanilino)-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 3-[[(2S,4R)-1-acetyl-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;1-[(2S,4R)-2-methyl-4-(4-methylanilino)-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
SMILESCC(=O)N1c2ccc(-c3cccc(C)c3)cc2[C@H](N)C[C@@H]1C.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](Nc2ccc(Cl)cc2)C[C@@H]1C.COC(=O)c1cccc(N[C@@H]2C[C@H](C)N(C(C)=O)c3ccc(-c4cccc(C)c4)cc32)c1.COc1ccccc1N[C@@H]1C[C@H](C)N(C(C)=O)c2ccc(-c3cccc(C)c3)cc21
InChIInChI=1S/C27H28N2O3.C26H28N2O2.C26H28N2O.C25H25ClN2O.C19H22N2O/c1-17-7-5-8-20(13-17)21-11-12-26-24(16-21)25(14-18(2)29(26)19(3)30)28-23-10-6-9-22(15-23)27(31)32-4;1-17-8-7-9-20(14-17)21-12-13-25-22(16-21)24(15-18(2)28(25)19(3)29)27-23-10-5-6-11-26(23)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;1-16-5-4-6-19(13-16)20-7-12-25-23(15-20)24(14-17(2)28(25)18(3)29)27-22-10-8-21(26)9-11-22;1-12-5-4-6-15(9-12)16-7-8-19-17(11-16)18(20)10-13(2)21(19)14(3)22/h5-13,15-16,18,25,28H,14H2,1-4H3;5-14,16,18,24,27H,15H2,1-4H3;5-14,16,19,25,27H,15H2,1-4H3;4-13,15,17,24,27H,14H2,1-3H3;4-9,11,13,18H,10,20H2,1-3H3/t18-,25+;18-,24+;19-,25+;17-,24+;13-,18+/m00000/s1
InChIKeyOAARCIZTYAJNFW-ILQWVZQUSA-N
XLogP28.41
TPSA211.22 Ų
H-Bond Donors5
H-Bond Acceptors13
Rotatable Bonds15
Heavy Atoms142
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001912.92
LogP ≤ 528.41
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1013

Analyze 1-[(2S,4R)-4-amino-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-4-(4-chloroanilino)-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 3-[[(2S,4R)-1-acetyl-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;1-[(2S,4R)-2-methyl-4-(4-methylanilino)-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone with MolForge

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Launch Full Analysis

Related Compounds

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-[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
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;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
4-[(2S)-1-acetyl-4-(4-chloroanilino)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]-N-[2-[2-[2-[2-[2-[2-[2-[4-(1-aminobutyl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]benzamide
CID 158040109
N-[3-[(2S,4R)-1-acetyl-4-[4-(1-methoxyethenyl)-2-methylanilino]-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[(2S,4R)-1-acetyl-4-[[4-(1-methoxyethenyl)phenyl]methylamino]-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[(2S,4R)-1-acetyl-4-[2-methoxy-4-(1-methoxyethenyl)anilino]-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;methyl 4-[[[(2S,4R)-6-(3-acetamidophenyl)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-[[4-(1-methoxyethenyl)phenyl]methyl]amino]methyl]benzoate
CID 158455478
1-[(2S,4R)-4-(4-fluoro-2-methoxyanilino)-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;methane;methyl 4-[[(2S,4R)-1-acetyl-6-[3-(butylamino)phenyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;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;bis(methyl 4-[[(2S,4R)-1-acetyl-2-methyl-6-[3-(propylamino)phenyl]-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate)
CID 158695719
N-(4-chlorophenyl)-N-[(2S,4R)-1-(4-methoxybenzoyl)-2,7-dimethyl-3,4-dihydro-2H-quinolin-4-yl]acetamide;N-(4-chlorophenyl)-N-[(2S,4R)-1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide;N-(4-chlorophenyl)-N-[(2S,4R)-2-methyl-1-(4-morpholin-4-ylbenzoyl)-3,4-dihydro-2H-quinolin-4-yl]acetamide;N-[(2S,4R)-1-(4-methoxybenzoyl)-2,7-dimethyl-3,4-dihydro-2H-quinolin-4-yl]-N-(4-methylphenyl)acetamide
CID 159015546
5-chloro-2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]-N-(2-phenylethyl)benzamide;methyl 5-chloro-2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]benzoate;N-[2-(naphthalen-1-ylcarbamoylamino)ethyl]-2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]benzamide
CID 160001523
tert-butyl (3R)-3-[[(2S)-7-chloro-2-methyl-3-oxo-2-phenyl-4-[2-(propanoylamino)ethyl]-1,4-benzoxazine-6-carbonyl]-propan-2-ylamino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[(2S)-2-methyl-3-oxo-2-phenyl-4-[2-(phenylmethoxycarbonylamino)ethyl]-1,4-benzoxazine-6-carbonyl]-propan-2-ylamino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[(2S)-2-methyl-3-oxo-2-phenyl-4-[2-(propanoylamino)ethyl]-1,4-benzoxazine-6-carbonyl]-propan-2-ylamino]piperidine-1-carboxylate
CID 161159061
N-benzylethanamine;(2S,4S)-N-benzyl-N-ethyl-1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide;(2S,4R)-N-benzyl-N-ethyl-1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide;4-methoxybenzoyl chloride;(2S)-1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinoline-4-carboxylic acid;methyl (2S,4R)-1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinoline-4-carboxylate;methyl (2S,4R)-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxylate
CID 161561995

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,4R)-4-amino-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-4-(4-chloroanilino)-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 3-[[(2S,4R)-1-acetyl-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;1-[(2S,4R)-2-methyl-4-(4-methylanilino)-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The IUPAC name of 1-[(2S,4R)-4-amino-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-4-(4-chloroanilino)-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 3-[[(2S,4R)-1-acetyl-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;1-[(2S,4R)-2-methyl-4-(4-methylanilino)-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone (CID 159934309) is 1-[(2S,4R)-4-amino-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-4-(4-chloroanilino)-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 3-[[(2S,4R)-1-acetyl-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;1-[(2S,4R)-2-methyl-4-(4-methylanilino)-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone.
What is the SMILES notation for 1-[(2S,4R)-4-amino-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-4-(4-chloroanilino)-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 3-[[(2S,4R)-1-acetyl-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;1-[(2S,4R)-2-methyl-4-(4-methylanilino)-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The canonical SMILES for 1-[(2S,4R)-4-amino-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-4-(4-chloroanilino)-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 3-[[(2S,4R)-1-acetyl-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;1-[(2S,4R)-2-methyl-4-(4-methylanilino)-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone is CC(=O)N1c2ccc(-c3cccc(C)c3)cc2[C@H](N)C[C@@H]1C.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](Nc2ccc(Cl)cc2)C[C@@H]1C.COC(=O)c1cccc(N[C@@H]2C[C@H](C)N(C(C)=O)c3ccc(-c4cccc(C)c4)cc32)c1.COc1ccccc1N[C@@H]1C[C@H](C)N(C(C)=O)c2ccc(-c3cccc(C)c3)cc21.
What is the InChIKey of 1-[(2S,4R)-4-amino-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-4-(4-chloroanilino)-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 3-[[(2S,4R)-1-acetyl-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;1-[(2S,4R)-2-methyl-4-(4-methylanilino)-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The InChIKey is OAARCIZTYAJNFW-ILQWVZQUSA-N. The full InChI is InChI=1S/C27H28N2O3.C26H28N2O2.C26H28N2O.C25H25ClN2O.C19H22N2O/c1-17-7-5-8-20(13-17)21-11-12-26-24(16-21)25(14-18(2)29(26)19(3)30)28-23-10-6-9-22(15-23)27(31)32-4;1-17-8-7-9-20(14-17)21-12-13-25-22(16-21)24(15-18(2)28(25)19(3)29)27-23-10-5-6-11-26(23)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;1-16-5-4-6-19(13-16)20-7-12-25-23(15-20)24(14-17(2)28(25)18(3)29)27-22-10-8-21(26)9-11-22;1-12-5-4-6-15(9-12)16-7-8-19-17(11-16)18(20)10-13(2)21(19)14(3)22/h5-13,15-16,18,25,28H,14H2,1-4H3;5-14,16,18,24,27H,15H2,1-4H3;5-14,16,19,25,27H,15H2,1-4H3;4-13,15,17,24,27H,14H2,1-3H3;4-9,11,13,18H,10,20H2,1-3H3/t18-,25+;18-,24+;19-,25+;17-,24+;13-,18+/m00000/s1.
What are the key properties of 1-[(2S,4R)-4-amino-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-4-(4-chloroanilino)-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 3-[[(2S,4R)-1-acetyl-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;1-[(2S,4R)-2-methyl-4-(4-methylanilino)-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone?
1-[(2S,4R)-4-amino-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-4-(4-chloroanilino)-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 3-[[(2S,4R)-1-acetyl-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;1-[(2S,4R)-2-methyl-4-(4-methylanilino)-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone has a molecular weight of 1912.92 g/mol, XLogP of 28.41, 15 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,4R)-4-amino-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-4-(4-chloroanilino)-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 3-[[(2S,4R)-1-acetyl-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;1-[(2S,4R)-2-methyl-4-(4-methylanilino)-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone is sourced from PubChem (CID 159934309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).