1-[(2S,4R)-4-(cycloheptylamino)-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-4-(cyclopentylamino)-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-4-(4-fluoroanilino)-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;1-[(2S,4R)-2-methyl-6-(3-methylphenyl)-4-(oxan-4-ylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-6-(3-methylphenyl)-4-[2-(trifluoromethyl)anilino]-3,4-dihydro-2H-quinolin-1-yl]ethanone

C151H172F4N12O8 — CID 158004935

IUPAC1-[(2S,4R)-4-(cycloheptylamino)-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-4-(cyclopentylamino)-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-4-(4-fluoroanilino)-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;1-[(2S,4R)-2-methyl-6-(3-methylphenyl)-4-(oxan-4-ylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-6-(3-methylphenyl)-4-[2-(trifluoromethyl)anilino]-3,4-dihydro-2H-quinolin-1-yl]ethanone
SMILESCC(=O)N1c2ccc(-c3cccc(C)c3)cc2[C@H](NC2CCCC2)C[C@@H]1C.CC(=O)N1c2ccc(-c3cccc(C)c3)cc2[C@H](NC2CCCCCC2)C[C@@H]1C.CC(=O)N1c2ccc(-c3cccc(C)c3)cc2[C@H](NC2CCOCC2)C[C@@H]1C.CC(=O)N1c2ccc(-c3cccc(C)c3)cc2[C@H](Nc2ccc(F)cc2)C[C@@H]1C.CC(=O)N1c2ccc(-c3cccc(C)c3)cc2[C@H](Nc2ccccc2C(F)(F)F)C[C@@H]1C.COc1ccccc1N[C@@H]1C[C@H](C)N(C(C)=O)c2ccc(-c3cccc(C)c3)cc21
InChIInChI=1S/C26H25F3N2O.C26H28N2O2.C26H34N2O.C25H25FN2O.C24H30N2O2.C24H30N2O/c1-16-7-6-8-19(13-16)20-11-12-25-21(15-20)24(14-17(2)31(25)18(3)32)30-23-10-5-4-9-22(23)26(27,28)29;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;1-18-9-8-10-21(15-18)22-13-14-26-24(17-22)25(16-19(2)28(26)20(3)29)27-23-11-6-4-5-7-12-23;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;1-16-5-4-6-19(13-16)20-7-8-24-22(15-20)23(14-17(2)26(24)18(3)27)25-21-9-11-28-12-10-21;1-16-7-6-8-19(13-16)20-11-12-24-22(15-20)23(25-21-9-4-5-10-21)14-17(2)26(24)18(3)27/h4-13,15,17,24,30H,14H2,1-3H3;5-14,16,18,24,27H,15H2,1-4H3;8-10,13-15,17,19,23,25,27H,4-7,11-12,16H2,1-3H3;4-13,15,17,24,27H,14H2,1-3H3;4-8,13,15,17,21,23,25H,9-12,14H2,1-3H3;6-8,11-13,15,17,21,23,25H,4-5,9-10,14H2,1-3H3/t17-,24+;18-,24+;19-,25+;17-,24+;2*17-,23+/m000000/s1
InChIKeyFEEFVIITQJYPFP-ZTCUTEGBSA-N
MW2359.10 g/mol
LogP35.21
Rot. Bonds19

About 1-[(2S,4R)-4-(cycloheptylamino)-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-4-(cyclopentylamino)-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-4-(4-fluoroanilino)-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;1-[(2S,4R)-2-methyl-6-(3-methylphenyl)-4-(oxan-4-ylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-6-(3-methylphenyl)-4-[2-(trifluoromethyl)anilino]-3,4-dihydro-2H-quinolin-1-yl]ethanone

1-[(2S,4R)-4-(cycloheptylamino)-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-4-(cyclopentylamino)-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-4-(4-fluoroanilino)-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;1-[(2S,4R)-2-methyl-6-(3-methylphenyl)-4-(oxan-4-ylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-6-(3-methylphenyl)-4-[2-(trifluoromethyl)anilino]-3,4-dihydro-2H-quinolin-1-yl]ethanone (PubChem CID 158004935) has the molecular formula C151H172F4N12O8 and a molecular weight of 2359.10 g/mol. Its IUPAC name is 1-[(2S,4R)-4-(cycloheptylamino)-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-4-(cyclopentylamino)-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-4-(4-fluoroanilino)-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;1-[(2S,4R)-2-methyl-6-(3-methylphenyl)-4-(oxan-4-ylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-6-(3-methylphenyl)-4-[2-(trifluoromethyl)anilino]-3,4-dihydro-2H-quinolin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2S,4R)-4-(cycloheptylamino)-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-4-(cyclopentylamino)-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-4-(4-fluoroanilino)-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;1-[(2S,4R)-2-methyl-6-(3-methylphenyl)-4-(oxan-4-ylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-6-(3-methylphenyl)-4-[2-(trifluoromethyl)anilino]-3,4-dihydro-2H-quinolin-1-yl]ethanone
PubChem CID158004935
Molecular FormulaC151H172F4N12O8
Molecular Weight2359.10 g/mol
Exact Mass2357.34
IUPAC Name1-[(2S,4R)-4-(cycloheptylamino)-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-4-(cyclopentylamino)-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-4-(4-fluoroanilino)-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;1-[(2S,4R)-2-methyl-6-(3-methylphenyl)-4-(oxan-4-ylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-6-(3-methylphenyl)-4-[2-(trifluoromethyl)anilino]-3,4-dihydro-2H-quinolin-1-yl]ethanone
SMILESCC(=O)N1c2ccc(-c3cccc(C)c3)cc2[C@H](NC2CCCC2)C[C@@H]1C.CC(=O)N1c2ccc(-c3cccc(C)c3)cc2[C@H](NC2CCCCCC2)C[C@@H]1C.CC(=O)N1c2ccc(-c3cccc(C)c3)cc2[C@H](NC2CCOCC2)C[C@@H]1C.CC(=O)N1c2ccc(-c3cccc(C)c3)cc2[C@H](Nc2ccc(F)cc2)C[C@@H]1C.CC(=O)N1c2ccc(-c3cccc(C)c3)cc2[C@H](Nc2ccccc2C(F)(F)F)C[C@@H]1C.COc1ccccc1N[C@@H]1C[C@H](C)N(C(C)=O)c2ccc(-c3cccc(C)c3)cc21
InChIInChI=1S/C26H25F3N2O.C26H28N2O2.C26H34N2O.C25H25FN2O.C24H30N2O2.C24H30N2O/c1-16-7-6-8-19(13-16)20-11-12-25-21(15-20)24(14-17(2)31(25)18(3)32)30-23-10-5-4-9-22(23)26(27,28)29;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;1-18-9-8-10-21(15-18)22-13-14-26-24(17-22)25(16-19(2)28(26)20(3)29)27-23-11-6-4-5-7-12-23;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;1-16-5-4-6-19(13-16)20-7-8-24-22(15-20)23(14-17(2)26(24)18(3)27)25-21-9-11-28-12-10-21;1-16-7-6-8-19(13-16)20-11-12-24-22(15-20)23(25-21-9-4-5-10-21)14-17(2)26(24)18(3)27/h4-13,15,17,24,30H,14H2,1-3H3;5-14,16,18,24,27H,15H2,1-4H3;8-10,13-15,17,19,23,25,27H,4-7,11-12,16H2,1-3H3;4-13,15,17,24,27H,14H2,1-3H3;4-8,13,15,17,21,23,25H,9-12,14H2,1-3H3;6-8,11-13,15,17,21,23,25H,4-5,9-10,14H2,1-3H3/t17-,24+;18-,24+;19-,25+;17-,24+;2*17-,23+/m000000/s1
InChIKeyFEEFVIITQJYPFP-ZTCUTEGBSA-N
XLogP35.21
TPSA212.50 Ų
H-Bond Donors6
H-Bond Acceptors14
Rotatable Bonds19
Heavy Atoms175
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002359.10
LogP ≤ 535.21
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1014

Analyze 1-[(2S,4R)-4-(cycloheptylamino)-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-4-(cyclopentylamino)-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-4-(4-fluoroanilino)-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;1-[(2S,4R)-2-methyl-6-(3-methylphenyl)-4-(oxan-4-ylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-6-(3-methylphenyl)-4-[2-(trifluoromethyl)anilino]-3,4-dihydro-2H-quinolin-1-yl]ethanone with MolForge

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Related Compounds

1-[(2S,4R)-6-[3-(dibutylamino)phenyl]-2-methyl-4-[2-(trifluoromethoxy)anilino]-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 135141465
1-[(2S,4R)-6-[3-(dipentylamino)phenyl]-2-methyl-4-[2-(trifluoromethoxy)anilino]-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 135141466
1-[(2S,4R)-2-methyl-6-[3-(oxolan-3-ylmethylamino)phenyl]-4-[2-(trifluoromethoxy)anilino]-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 135141469
1-[(2S,4R)-6-[3-(cyclopentylamino)phenyl]-2-methyl-4-[2-(trifluoromethoxy)anilino]-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 135141799
1-[(2S,4R)-4-(4-fluoro-2-methoxyanilino)-2-methyl-6-[3-[(2,2,2-trifluoroethylamino)methyl]phenyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 135141925
1-[(2S)-1,4-dioxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]-3-(1-naphthalen-1-ylethyl)urea;1-[(2S)-1,4-dioxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]-3-[(1R)-1-phenylethyl]urea;1-[(2S)-1,4-dioxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]-3-[2-(trifluoromethoxy)phenyl]urea
CID 157203152
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-(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;1-[(2S,4R)-4-(4-ethynylanilino)-2-methyl-6-[3-(3,3,3-trifluoropropylamino)phenyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 157390760
1-(1-Acetylpiperidin-4-yl)-3-(2,5-dimethylphenyl)-1-[(4-methoxyphenyl)methyl]urea;1-(1-acetylpiperidin-4-yl)-3-(2-fluorophenyl)-1-[(4-methoxyphenyl)methyl]urea;1-(1-acetylpiperidin-4-yl)-3-(2-methoxy-5-methylphenyl)-1-[(4-methoxyphenyl)methyl]urea;1-(1-acetylpiperidin-4-yl)-1-[(4-methoxyphenyl)methyl]-3-(2-methylphenyl)urea;1-(1-acetylpiperidin-4-yl)-1-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)urea;1-(1-acetylpiperidin-4-yl)-1-[(4-methoxyphenyl)methyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 158008985
N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-4-aminobutanamide;N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-4-(dimethylamino)butanamide;N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-3-(dimethylamino)propanamide;1-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-4-(4-methoxyphenyl)-N,N-dimethylpiperidin-4-amine;methane
CID 158050453
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
1-[(2S,4R)-4-(4-fluoro-2-methoxyanilino)-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 158326969
1-[(2S,4R)-2-methyl-6-(3-methylphenyl)-4-[2-(trifluoromethoxy)anilino]-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 158793487

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,4R)-4-(cycloheptylamino)-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-4-(cyclopentylamino)-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-4-(4-fluoroanilino)-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;1-[(2S,4R)-2-methyl-6-(3-methylphenyl)-4-(oxan-4-ylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-6-(3-methylphenyl)-4-[2-(trifluoromethyl)anilino]-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The IUPAC name of 1-[(2S,4R)-4-(cycloheptylamino)-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-4-(cyclopentylamino)-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-4-(4-fluoroanilino)-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;1-[(2S,4R)-2-methyl-6-(3-methylphenyl)-4-(oxan-4-ylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-6-(3-methylphenyl)-4-[2-(trifluoromethyl)anilino]-3,4-dihydro-2H-quinolin-1-yl]ethanone (CID 158004935) is 1-[(2S,4R)-4-(cycloheptylamino)-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-4-(cyclopentylamino)-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-4-(4-fluoroanilino)-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;1-[(2S,4R)-2-methyl-6-(3-methylphenyl)-4-(oxan-4-ylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-6-(3-methylphenyl)-4-[2-(trifluoromethyl)anilino]-3,4-dihydro-2H-quinolin-1-yl]ethanone.
What is the SMILES notation for 1-[(2S,4R)-4-(cycloheptylamino)-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-4-(cyclopentylamino)-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-4-(4-fluoroanilino)-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;1-[(2S,4R)-2-methyl-6-(3-methylphenyl)-4-(oxan-4-ylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-6-(3-methylphenyl)-4-[2-(trifluoromethyl)anilino]-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The canonical SMILES for 1-[(2S,4R)-4-(cycloheptylamino)-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-4-(cyclopentylamino)-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-4-(4-fluoroanilino)-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;1-[(2S,4R)-2-methyl-6-(3-methylphenyl)-4-(oxan-4-ylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-6-(3-methylphenyl)-4-[2-(trifluoromethyl)anilino]-3,4-dihydro-2H-quinolin-1-yl]ethanone is CC(=O)N1c2ccc(-c3cccc(C)c3)cc2[C@H](NC2CCCC2)C[C@@H]1C.CC(=O)N1c2ccc(-c3cccc(C)c3)cc2[C@H](NC2CCCCCC2)C[C@@H]1C.CC(=O)N1c2ccc(-c3cccc(C)c3)cc2[C@H](NC2CCOCC2)C[C@@H]1C.CC(=O)N1c2ccc(-c3cccc(C)c3)cc2[C@H](Nc2ccc(F)cc2)C[C@@H]1C.CC(=O)N1c2ccc(-c3cccc(C)c3)cc2[C@H](Nc2ccccc2C(F)(F)F)C[C@@H]1C.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-(cycloheptylamino)-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-4-(cyclopentylamino)-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-4-(4-fluoroanilino)-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;1-[(2S,4R)-2-methyl-6-(3-methylphenyl)-4-(oxan-4-ylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-6-(3-methylphenyl)-4-[2-(trifluoromethyl)anilino]-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The InChIKey is FEEFVIITQJYPFP-ZTCUTEGBSA-N. The full InChI is InChI=1S/C26H25F3N2O.C26H28N2O2.C26H34N2O.C25H25FN2O.C24H30N2O2.C24H30N2O/c1-16-7-6-8-19(13-16)20-11-12-25-21(15-20)24(14-17(2)31(25)18(3)32)30-23-10-5-4-9-22(23)26(27,28)29;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;1-18-9-8-10-21(15-18)22-13-14-26-24(17-22)25(16-19(2)28(26)20(3)29)27-23-11-6-4-5-7-12-23;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;1-16-5-4-6-19(13-16)20-7-8-24-22(15-20)23(14-17(2)26(24)18(3)27)25-21-9-11-28-12-10-21;1-16-7-6-8-19(13-16)20-11-12-24-22(15-20)23(25-21-9-4-5-10-21)14-17(2)26(24)18(3)27/h4-13,15,17,24,30H,14H2,1-3H3;5-14,16,18,24,27H,15H2,1-4H3;8-10,13-15,17,19,23,25,27H,4-7,11-12,16H2,1-3H3;4-13,15,17,24,27H,14H2,1-3H3;4-8,13,15,17,21,23,25H,9-12,14H2,1-3H3;6-8,11-13,15,17,21,23,25H,4-5,9-10,14H2,1-3H3/t17-,24+;18-,24+;19-,25+;17-,24+;2*17-,23+/m000000/s1.
What are the key properties of 1-[(2S,4R)-4-(cycloheptylamino)-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-4-(cyclopentylamino)-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-4-(4-fluoroanilino)-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;1-[(2S,4R)-2-methyl-6-(3-methylphenyl)-4-(oxan-4-ylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-6-(3-methylphenyl)-4-[2-(trifluoromethyl)anilino]-3,4-dihydro-2H-quinolin-1-yl]ethanone?
1-[(2S,4R)-4-(cycloheptylamino)-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-4-(cyclopentylamino)-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-4-(4-fluoroanilino)-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;1-[(2S,4R)-2-methyl-6-(3-methylphenyl)-4-(oxan-4-ylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-6-(3-methylphenyl)-4-[2-(trifluoromethyl)anilino]-3,4-dihydro-2H-quinolin-1-yl]ethanone has a molecular weight of 2359.10 g/mol, XLogP of 35.21, 19 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,4R)-4-(cycloheptylamino)-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-4-(cyclopentylamino)-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-4-(4-fluoroanilino)-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;1-[(2S,4R)-2-methyl-6-(3-methylphenyl)-4-(oxan-4-ylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-6-(3-methylphenyl)-4-[2-(trifluoromethyl)anilino]-3,4-dihydro-2H-quinolin-1-yl]ethanone is sourced from PubChem (CID 158004935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).