(2R,4S)-1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;6-ethyl-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[(2R,4R)-2-methyl-4-(oxan-4-ylamino)piperidin-1-yl]quinoline-8-carbonitrile;(2S,4R)-1-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;1-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;(2S,4R)-1-[8-fluoro-6-methoxy-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(trifluoromethoxy)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine

C151H189F8N31O14 — CID 159040904

IUPAC(2R,4S)-1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;6-ethyl-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[(2R,4R)-2-methyl-4-(oxan-4-ylamino)piperidin-1-yl]quinoline-8-carbonitrile;(2S,4R)-1-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;1-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;(2S,4R)-1-[8-fluoro-6-methoxy-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(trifluoromethoxy)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine
SMILESCCc1cc(C#N)c2nc(N3CC[C@@H](NC4CCOCC4)C[C@H]3C)c(-c3nc(C)no3)c(C)c2c1.CCc1cc(F)c2nc(N3CC[C@H](NC4CCOCC4)C[C@H]3C)c(-c3nc(C)no3)c(C)c2c1.COc1cc(F)c2nc(N3CC[C@@H](NC4CCOCC4)C[C@@H]3C)c(-c3nc(C)no3)c(C)c2c1.Cc1cc(F)c2nc(N3CCC(NC4CCOCC4)CC3)c(-c3nc(C)no3)c(C)c2c1.Cc1cc(F)c2nc(N3CC[C@@H](NC4CCOCC4)C[C@@H]3C)c(-c3nc(C)no3)c(C)c2c1.Cc1noc(-c2c(N3CCC(NC4CCOCC4)CC3)nc3c(F)cc(OC(F)(F)F)cc3c2C)n1
InChIInChI=1S/C27H34N6O2.C26H34FN5O2.C25H32FN5O3.C25H32FN5O2.C24H27F4N5O3.C24H30FN5O2/c1-5-19-13-20(15-28)25-23(14-19)17(3)24(27-29-18(4)32-35-27)26(31-25)33-9-6-22(12-16(33)2)30-21-7-10-34-11-8-21;1-5-18-13-21-16(3)23(26-28-17(4)31-34-26)25(30-24(21)22(27)14-18)32-9-6-20(12-15(32)2)29-19-7-10-33-11-8-19;1-14-11-18(28-17-6-9-33-10-7-17)5-8-31(14)24-22(25-27-16(3)30-34-25)15(2)20-12-19(32-4)13-21(26)23(20)29-24;1-14-11-20-16(3)22(25-27-17(4)30-33-25)24(29-23(20)21(26)12-14)31-8-5-19(13-15(31)2)28-18-6-9-32-10-7-18;1-13-18-11-17(35-24(26,27)28)12-19(25)21(18)31-22(20(13)23-29-14(2)32-36-23)33-7-3-15(4-8-33)30-16-5-9-34-10-6-16;1-14-12-19-15(2)21(24-26-16(3)29-32-24)23(28-22(19)20(25)13-14)30-8-4-17(5-9-30)27-18-6-10-31-11-7-18/h13-14,16,21-22,30H,5-12H2,1-4H3;13-15,19-20,29H,5-12H2,1-4H3;12-14,17-18,28H,5-11H2,1-4H3;11-12,15,18-19,28H,5-10,13H2,1-4H3;11-12,15-16,30H,3-10H2,1-2H3;12-13,17-18,27H,4-11H2,1-3H3/t16-,22-;15-,20+;14-,18+;15-,19+;;/m1100../s1
InChIKeyJWASSCQRBMZEQZ-VCTBEFIPSA-N
MW2814.36 g/mol
LogP26.60
Rot. Bonds28

About (2R,4S)-1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;6-ethyl-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[(2R,4R)-2-methyl-4-(oxan-4-ylamino)piperidin-1-yl]quinoline-8-carbonitrile;(2S,4R)-1-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;1-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;(2S,4R)-1-[8-fluoro-6-methoxy-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(trifluoromethoxy)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine

(2R,4S)-1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;6-ethyl-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[(2R,4R)-2-methyl-4-(oxan-4-ylamino)piperidin-1-yl]quinoline-8-carbonitrile;(2S,4R)-1-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;1-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;(2S,4R)-1-[8-fluoro-6-methoxy-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(trifluoromethoxy)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine (PubChem CID 159040904) has the molecular formula C151H189F8N31O14 and a molecular weight of 2814.36 g/mol. Its IUPAC name is (2R,4S)-1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;6-ethyl-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[(2R,4R)-2-methyl-4-(oxan-4-ylamino)piperidin-1-yl]quinoline-8-carbonitrile;(2S,4R)-1-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;1-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;(2S,4R)-1-[8-fluoro-6-methoxy-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(trifluoromethoxy)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine.

Molecular Properties

Compound Name(2R,4S)-1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;6-ethyl-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[(2R,4R)-2-methyl-4-(oxan-4-ylamino)piperidin-1-yl]quinoline-8-carbonitrile;(2S,4R)-1-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;1-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;(2S,4R)-1-[8-fluoro-6-methoxy-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(trifluoromethoxy)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine
PubChem CID159040904
Molecular FormulaC151H189F8N31O14
Molecular Weight2814.36 g/mol
Exact Mass2812.49
IUPAC Name(2R,4S)-1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;6-ethyl-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[(2R,4R)-2-methyl-4-(oxan-4-ylamino)piperidin-1-yl]quinoline-8-carbonitrile;(2S,4R)-1-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;1-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;(2S,4R)-1-[8-fluoro-6-methoxy-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(trifluoromethoxy)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine
SMILESCCc1cc(C#N)c2nc(N3CC[C@@H](NC4CCOCC4)C[C@H]3C)c(-c3nc(C)no3)c(C)c2c1.CCc1cc(F)c2nc(N3CC[C@H](NC4CCOCC4)C[C@H]3C)c(-c3nc(C)no3)c(C)c2c1.COc1cc(F)c2nc(N3CC[C@@H](NC4CCOCC4)C[C@@H]3C)c(-c3nc(C)no3)c(C)c2c1.Cc1cc(F)c2nc(N3CCC(NC4CCOCC4)CC3)c(-c3nc(C)no3)c(C)c2c1.Cc1cc(F)c2nc(N3CC[C@@H](NC4CCOCC4)C[C@@H]3C)c(-c3nc(C)no3)c(C)c2c1.Cc1noc(-c2c(N3CCC(NC4CCOCC4)CC3)nc3c(F)cc(OC(F)(F)F)cc3c2C)n1
InChIInChI=1S/C27H34N6O2.C26H34FN5O2.C25H32FN5O3.C25H32FN5O2.C24H27F4N5O3.C24H30FN5O2/c1-5-19-13-20(15-28)25-23(14-19)17(3)24(27-29-18(4)32-35-27)26(31-25)33-9-6-22(12-16(33)2)30-21-7-10-34-11-8-21;1-5-18-13-21-16(3)23(26-28-17(4)31-34-26)25(30-24(21)22(27)14-18)32-9-6-20(12-15(32)2)29-19-7-10-33-11-8-19;1-14-11-18(28-17-6-9-33-10-7-17)5-8-31(14)24-22(25-27-16(3)30-34-25)15(2)20-12-19(32-4)13-21(26)23(20)29-24;1-14-11-20-16(3)22(25-27-17(4)30-33-25)24(29-23(20)21(26)12-14)31-8-5-19(13-15(31)2)28-18-6-9-32-10-7-18;1-13-18-11-17(35-24(26,27)28)12-19(25)21(18)31-22(20(13)23-29-14(2)32-36-23)33-7-3-15(4-8-33)30-16-5-9-34-10-6-16;1-14-12-19-15(2)21(24-26-16(3)29-32-24)23(28-22(19)20(25)13-14)30-8-4-17(5-9-30)27-18-6-10-31-11-7-18/h13-14,16,21-22,30H,5-12H2,1-4H3;13-15,19-20,29H,5-12H2,1-4H3;12-14,17-18,28H,5-11H2,1-4H3;11-12,15,18-19,28H,5-10,13H2,1-4H3;11-12,15-16,30H,3-10H2,1-2H3;12-13,17-18,27H,4-11H2,1-3H3/t16-,22-;15-,20+;14-,18+;15-,19+;;/m1100../s1
InChIKeyJWASSCQRBMZEQZ-VCTBEFIPSA-N
XLogP26.60
TPSA500.11 Ų
H-Bond Donors6
H-Bond Acceptors45
Rotatable Bonds28
Heavy Atoms204
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002814.36
LogP ≤ 526.60
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1045

Analyze (2R,4S)-1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;6-ethyl-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[(2R,4R)-2-methyl-4-(oxan-4-ylamino)piperidin-1-yl]quinoline-8-carbonitrile;(2S,4R)-1-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;1-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;(2S,4R)-1-[8-fluoro-6-methoxy-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(trifluoromethoxy)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine 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

(2R,4R)-1-[8-fluoro-6-methoxy-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine
CID 135329036
(2R,4R)-1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(trifluoromethoxy)quinolin-2-yl]-2-methyl-N-[(3S)-oxolan-3-yl]piperidin-4-amine
CID 135329076
1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(trifluoromethoxy)quinolin-2-yl]-N-[(3R)-oxolan-3-yl]piperidin-4-amine
CID 135329108
1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(trifluoromethoxy)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine
CID 135329117
(3S,4R)-3-fluoro-1-[8-fluoro-6-methoxy-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine
CID 137434293
(2R,4R)-1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(trifluoromethoxy)quinolin-2-yl]-2-methyl-N-(oxolan-3-yl)piperidin-4-amine
CID 135329079
1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(trifluoromethoxy)quinolin-2-yl]-N-(oxolan-3-yl)piperidin-4-amine
CID 135329110
(3R,4R)-3-fluoro-1-[8-fluoro-6-methoxy-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine
CID 137434119
(3S,4R)-1-[8-fluoro-6-methoxy-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-3-methyl-N-(oxan-4-yl)piperidin-4-amine
CID 137434144
(3S,4S)-3-fluoro-1-[8-fluoro-6-methoxy-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine
CID 137434432
(3R,4S)-3-fluoro-1-[8-fluoro-6-methoxy-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine
CID 137434442
(2S,4R)-1-[8-fluoro-6-methoxy-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine
CID 137434457

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;6-ethyl-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[(2R,4R)-2-methyl-4-(oxan-4-ylamino)piperidin-1-yl]quinoline-8-carbonitrile;(2S,4R)-1-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;1-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;(2S,4R)-1-[8-fluoro-6-methoxy-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(trifluoromethoxy)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine?
The IUPAC name of (2R,4S)-1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;6-ethyl-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[(2R,4R)-2-methyl-4-(oxan-4-ylamino)piperidin-1-yl]quinoline-8-carbonitrile;(2S,4R)-1-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;1-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;(2S,4R)-1-[8-fluoro-6-methoxy-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(trifluoromethoxy)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine (CID 159040904) is (2R,4S)-1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;6-ethyl-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[(2R,4R)-2-methyl-4-(oxan-4-ylamino)piperidin-1-yl]quinoline-8-carbonitrile;(2S,4R)-1-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;1-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;(2S,4R)-1-[8-fluoro-6-methoxy-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(trifluoromethoxy)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine.
What is the SMILES notation for (2R,4S)-1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;6-ethyl-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[(2R,4R)-2-methyl-4-(oxan-4-ylamino)piperidin-1-yl]quinoline-8-carbonitrile;(2S,4R)-1-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;1-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;(2S,4R)-1-[8-fluoro-6-methoxy-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(trifluoromethoxy)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine?
The canonical SMILES for (2R,4S)-1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;6-ethyl-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[(2R,4R)-2-methyl-4-(oxan-4-ylamino)piperidin-1-yl]quinoline-8-carbonitrile;(2S,4R)-1-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;1-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;(2S,4R)-1-[8-fluoro-6-methoxy-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(trifluoromethoxy)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine is CCc1cc(C#N)c2nc(N3CC[C@@H](NC4CCOCC4)C[C@H]3C)c(-c3nc(C)no3)c(C)c2c1.CCc1cc(F)c2nc(N3CC[C@H](NC4CCOCC4)C[C@H]3C)c(-c3nc(C)no3)c(C)c2c1.COc1cc(F)c2nc(N3CC[C@@H](NC4CCOCC4)C[C@@H]3C)c(-c3nc(C)no3)c(C)c2c1.Cc1cc(F)c2nc(N3CCC(NC4CCOCC4)CC3)c(-c3nc(C)no3)c(C)c2c1.Cc1cc(F)c2nc(N3CC[C@@H](NC4CCOCC4)C[C@@H]3C)c(-c3nc(C)no3)c(C)c2c1.Cc1noc(-c2c(N3CCC(NC4CCOCC4)CC3)nc3c(F)cc(OC(F)(F)F)cc3c2C)n1.
What is the InChIKey of (2R,4S)-1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;6-ethyl-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[(2R,4R)-2-methyl-4-(oxan-4-ylamino)piperidin-1-yl]quinoline-8-carbonitrile;(2S,4R)-1-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;1-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;(2S,4R)-1-[8-fluoro-6-methoxy-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(trifluoromethoxy)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine?
The InChIKey is JWASSCQRBMZEQZ-VCTBEFIPSA-N. The full InChI is InChI=1S/C27H34N6O2.C26H34FN5O2.C25H32FN5O3.C25H32FN5O2.C24H27F4N5O3.C24H30FN5O2/c1-5-19-13-20(15-28)25-23(14-19)17(3)24(27-29-18(4)32-35-27)26(31-25)33-9-6-22(12-16(33)2)30-21-7-10-34-11-8-21;1-5-18-13-21-16(3)23(26-28-17(4)31-34-26)25(30-24(21)22(27)14-18)32-9-6-20(12-15(32)2)29-19-7-10-33-11-8-19;1-14-11-18(28-17-6-9-33-10-7-17)5-8-31(14)24-22(25-27-16(3)30-34-25)15(2)20-12-19(32-4)13-21(26)23(20)29-24;1-14-11-20-16(3)22(25-27-17(4)30-33-25)24(29-23(20)21(26)12-14)31-8-5-19(13-15(31)2)28-18-6-9-32-10-7-18;1-13-18-11-17(35-24(26,27)28)12-19(25)21(18)31-22(20(13)23-29-14(2)32-36-23)33-7-3-15(4-8-33)30-16-5-9-34-10-6-16;1-14-12-19-15(2)21(24-26-16(3)29-32-24)23(28-22(19)20(25)13-14)30-8-4-17(5-9-30)27-18-6-10-31-11-7-18/h13-14,16,21-22,30H,5-12H2,1-4H3;13-15,19-20,29H,5-12H2,1-4H3;12-14,17-18,28H,5-11H2,1-4H3;11-12,15,18-19,28H,5-10,13H2,1-4H3;11-12,15-16,30H,3-10H2,1-2H3;12-13,17-18,27H,4-11H2,1-3H3/t16-,22-;15-,20+;14-,18+;15-,19+;;/m1100../s1.
What are the key properties of (2R,4S)-1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;6-ethyl-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[(2R,4R)-2-methyl-4-(oxan-4-ylamino)piperidin-1-yl]quinoline-8-carbonitrile;(2S,4R)-1-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;1-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;(2S,4R)-1-[8-fluoro-6-methoxy-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(trifluoromethoxy)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine?
(2R,4S)-1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;6-ethyl-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[(2R,4R)-2-methyl-4-(oxan-4-ylamino)piperidin-1-yl]quinoline-8-carbonitrile;(2S,4R)-1-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;1-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;(2S,4R)-1-[8-fluoro-6-methoxy-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(trifluoromethoxy)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine has a molecular weight of 2814.36 g/mol, XLogP of 26.60, 28 rotatable bonds, 6 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;6-ethyl-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[(2R,4R)-2-methyl-4-(oxan-4-ylamino)piperidin-1-yl]quinoline-8-carbonitrile;(2S,4R)-1-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;1-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;(2S,4R)-1-[8-fluoro-6-methoxy-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine;1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(trifluoromethoxy)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine is sourced from PubChem (CID 159040904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).