1-[6-(1,1-difluoroethyl)-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3R)-oxolan-3-yl]piperidin-4-amine;1-[6-ethoxy-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3R)-oxolan-3-yl]piperidin-4-amine;1-[6-ethoxy-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3S)-oxolan-3-yl]piperidin-4-amine;6-ethyl-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[4-[[(3R)-oxolan-3-yl]amino]piperidin-1-yl]quinoline-8-carbonitrile;1-[8-fluoro-6-(2-fluoroethyl)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3S)-oxolan-3-yl]piperidin-4-amine;1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-propan-2-yloxyquinolin-2-yl]-N-[(3R)-oxolan-3-yl]piperidin-4-amine

C146H179F8N31O15 — CID 158619643

IUPAC1-[6-(1,1-difluoroethyl)-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3R)-oxolan-3-yl]piperidin-4-amine;1-[6-ethoxy-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3R)-oxolan-3-yl]piperidin-4-amine;1-[6-ethoxy-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3S)-oxolan-3-yl]piperidin-4-amine;6-ethyl-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[4-[[(3R)-oxolan-3-yl]amino]piperidin-1-yl]quinoline-8-carbonitrile;1-[8-fluoro-6-(2-fluoroethyl)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3S)-oxolan-3-yl]piperidin-4-amine;1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-propan-2-yloxyquinolin-2-yl]-N-[(3R)-oxolan-3-yl]piperidin-4-amine
SMILESCCOc1cc(F)c2nc(N3CCC(N[C@@H]4CCOC4)CC3)c(-c3nc(C)no3)c(C)c2c1.CCOc1cc(F)c2nc(N3CCC(N[C@H]4CCOC4)CC3)c(-c3nc(C)no3)c(C)c2c1.CCc1cc(C#N)c2nc(N3CCC(N[C@@H]4CCOC4)CC3)c(-c3nc(C)no3)c(C)c2c1.Cc1noc(-c2c(N3CCC(N[C@@H]4CCOC4)CC3)nc3c(F)cc(C(C)(F)F)cc3c2C)n1.Cc1noc(-c2c(N3CCC(N[C@@H]4CCOC4)CC3)nc3c(F)cc(OC(C)C)cc3c2C)n1.Cc1noc(-c2c(N3CCC(N[C@H]4CCOC4)CC3)nc3c(F)cc(CCF)cc3c2C)n1
InChIInChI=1S/C25H32FN5O3.C25H30N6O2.C24H28F3N5O2.C24H29F2N5O2.2C24H30FN5O3/c1-14(2)33-19-11-20-15(3)22(25-27-16(4)30-34-25)24(29-23(20)21(26)12-19)31-8-5-17(6-9-31)28-18-7-10-32-13-18;1-4-17-11-18(13-26)23-21(12-17)15(2)22(25-27-16(3)30-33-25)24(29-23)31-8-5-19(6-9-31)28-20-7-10-32-14-20;1-13-18-10-15(24(3,26)27)11-19(25)21(18)30-22(20(13)23-28-14(2)31-34-23)32-7-4-16(5-8-32)29-17-6-9-33-12-17;1-14-19-11-16(3-7-25)12-20(26)22(19)29-23(21(14)24-27-15(2)30-33-24)31-8-4-17(5-9-31)28-18-6-10-32-13-18;2*1-4-32-18-11-19-14(2)21(24-26-15(3)29-33-24)23(28-22(19)20(25)12-18)30-8-5-16(6-9-30)27-17-7-10-31-13-17/h11-12,14,17-18,28H,5-10,13H2,1-4H3;11-12,19-20,28H,4-10,14H2,1-3H3;10-11,16-17,29H,4-9,12H2,1-3H3;11-12,17-18,28H,3-10,13H2,1-2H3;2*11-12,16-17,27H,4-10,13H2,1-3H3/t18-;20-;17-;18-;2*17-/m111010/s1
InChIKeyHXVKCMKWFSPKMD-GUGSTKKMSA-N
MW2760.22 g/mol
LogP23.83
Rot. Bonds34

About 1-[6-(1,1-difluoroethyl)-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3R)-oxolan-3-yl]piperidin-4-amine;1-[6-ethoxy-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3R)-oxolan-3-yl]piperidin-4-amine;1-[6-ethoxy-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3S)-oxolan-3-yl]piperidin-4-amine;6-ethyl-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[4-[[(3R)-oxolan-3-yl]amino]piperidin-1-yl]quinoline-8-carbonitrile;1-[8-fluoro-6-(2-fluoroethyl)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3S)-oxolan-3-yl]piperidin-4-amine;1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-propan-2-yloxyquinolin-2-yl]-N-[(3R)-oxolan-3-yl]piperidin-4-amine

1-[6-(1,1-difluoroethyl)-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3R)-oxolan-3-yl]piperidin-4-amine;1-[6-ethoxy-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3R)-oxolan-3-yl]piperidin-4-amine;1-[6-ethoxy-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3S)-oxolan-3-yl]piperidin-4-amine;6-ethyl-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[4-[[(3R)-oxolan-3-yl]amino]piperidin-1-yl]quinoline-8-carbonitrile;1-[8-fluoro-6-(2-fluoroethyl)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3S)-oxolan-3-yl]piperidin-4-amine;1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-propan-2-yloxyquinolin-2-yl]-N-[(3R)-oxolan-3-yl]piperidin-4-amine (PubChem CID 158619643) has the molecular formula C146H179F8N31O15 and a molecular weight of 2760.22 g/mol. Its IUPAC name is 1-[6-(1,1-difluoroethyl)-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3R)-oxolan-3-yl]piperidin-4-amine;1-[6-ethoxy-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3R)-oxolan-3-yl]piperidin-4-amine;1-[6-ethoxy-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3S)-oxolan-3-yl]piperidin-4-amine;6-ethyl-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[4-[[(3R)-oxolan-3-yl]amino]piperidin-1-yl]quinoline-8-carbonitrile;1-[8-fluoro-6-(2-fluoroethyl)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3S)-oxolan-3-yl]piperidin-4-amine;1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-propan-2-yloxyquinolin-2-yl]-N-[(3R)-oxolan-3-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-[6-(1,1-difluoroethyl)-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3R)-oxolan-3-yl]piperidin-4-amine;1-[6-ethoxy-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3R)-oxolan-3-yl]piperidin-4-amine;1-[6-ethoxy-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3S)-oxolan-3-yl]piperidin-4-amine;6-ethyl-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[4-[[(3R)-oxolan-3-yl]amino]piperidin-1-yl]quinoline-8-carbonitrile;1-[8-fluoro-6-(2-fluoroethyl)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3S)-oxolan-3-yl]piperidin-4-amine;1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-propan-2-yloxyquinolin-2-yl]-N-[(3R)-oxolan-3-yl]piperidin-4-amine
PubChem CID158619643
Molecular FormulaC146H179F8N31O15
Molecular Weight2760.22 g/mol
Exact Mass2758.41
IUPAC Name1-[6-(1,1-difluoroethyl)-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3R)-oxolan-3-yl]piperidin-4-amine;1-[6-ethoxy-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3R)-oxolan-3-yl]piperidin-4-amine;1-[6-ethoxy-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3S)-oxolan-3-yl]piperidin-4-amine;6-ethyl-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[4-[[(3R)-oxolan-3-yl]amino]piperidin-1-yl]quinoline-8-carbonitrile;1-[8-fluoro-6-(2-fluoroethyl)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3S)-oxolan-3-yl]piperidin-4-amine;1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-propan-2-yloxyquinolin-2-yl]-N-[(3R)-oxolan-3-yl]piperidin-4-amine
SMILESCCOc1cc(F)c2nc(N3CCC(N[C@@H]4CCOC4)CC3)c(-c3nc(C)no3)c(C)c2c1.CCOc1cc(F)c2nc(N3CCC(N[C@H]4CCOC4)CC3)c(-c3nc(C)no3)c(C)c2c1.CCc1cc(C#N)c2nc(N3CCC(N[C@@H]4CCOC4)CC3)c(-c3nc(C)no3)c(C)c2c1.Cc1noc(-c2c(N3CCC(N[C@@H]4CCOC4)CC3)nc3c(F)cc(C(C)(F)F)cc3c2C)n1.Cc1noc(-c2c(N3CCC(N[C@@H]4CCOC4)CC3)nc3c(F)cc(OC(C)C)cc3c2C)n1.Cc1noc(-c2c(N3CCC(N[C@H]4CCOC4)CC3)nc3c(F)cc(CCF)cc3c2C)n1
InChIInChI=1S/C25H32FN5O3.C25H30N6O2.C24H28F3N5O2.C24H29F2N5O2.2C24H30FN5O3/c1-14(2)33-19-11-20-15(3)22(25-27-16(4)30-34-25)24(29-23(20)21(26)12-19)31-8-5-17(6-9-31)28-18-7-10-32-13-18;1-4-17-11-18(13-26)23-21(12-17)15(2)22(25-27-16(3)30-33-25)24(29-23)31-8-5-19(6-9-31)28-20-7-10-32-14-20;1-13-18-10-15(24(3,26)27)11-19(25)21(18)30-22(20(13)23-28-14(2)31-34-23)32-7-4-16(5-8-32)29-17-6-9-33-12-17;1-14-19-11-16(3-7-25)12-20(26)22(19)29-23(21(14)24-27-15(2)30-33-24)31-8-4-17(5-9-31)28-18-6-10-32-13-18;2*1-4-32-18-11-19-14(2)21(24-26-15(3)29-33-24)23(28-22(19)20(25)12-18)30-8-5-16(6-9-30)27-17-7-10-31-13-17/h11-12,14,17-18,28H,5-10,13H2,1-4H3;11-12,19-20,28H,4-10,14H2,1-3H3;10-11,16-17,29H,4-9,12H2,1-3H3;11-12,17-18,28H,3-10,13H2,1-2H3;2*11-12,16-17,27H,4-10,13H2,1-3H3/t18-;20-;17-;18-;2*17-/m111010/s1
InChIKeyHXVKCMKWFSPKMD-GUGSTKKMSA-N
XLogP23.83
TPSA509.34 Ų
H-Bond Donors6
H-Bond Acceptors46
Rotatable Bonds34
Heavy Atoms200
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002760.22
LogP ≤ 523.83
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1046

Analyze 1-[6-(1,1-difluoroethyl)-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3R)-oxolan-3-yl]piperidin-4-amine;1-[6-ethoxy-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3R)-oxolan-3-yl]piperidin-4-amine;1-[6-ethoxy-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3S)-oxolan-3-yl]piperidin-4-amine;6-ethyl-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[4-[[(3R)-oxolan-3-yl]amino]piperidin-1-yl]quinoline-8-carbonitrile;1-[8-fluoro-6-(2-fluoroethyl)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3S)-oxolan-3-yl]piperidin-4-amine;1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-propan-2-yloxyquinolin-2-yl]-N-[(3R)-oxolan-3-yl]piperidin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-propan-2-yloxyquinolin-2-yl]-N-[(3R)-oxolan-3-yl]piperidin-4-amine
CID 137434358
(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-propan-2-yloxyquinolin-2-yl]-N-[(3R)-oxan-3-yl]piperidin-4-amine
CID 137434251
(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
(2R,4R)-1-[6-cyclopropyloxy-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-[(3S)-oxolan-3-yl]piperidin-4-amine
CID 137434280
(2R,4R)-1-[6-cyclopropyloxy-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-[(3R)-oxolan-3-yl]piperidin-4-amine
CID 137434281
1-[6-ethoxy-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3R)-oxan-3-yl]piperidin-4-amine
CID 137434369
1-[6-ethoxy-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3S)-oxan-3-yl]piperidin-4-amine
CID 137434417
1-[8-chloro-6-ethyl-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;1-[4-chloro-6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;1-[8-chloro-6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;1-[6-(1,1-difluoroethyl)-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;1-[6-ethoxy-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;1-[8-fluoro-6-[(1S)-1-fluoroethyl]-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine
CID 157336340
(2R,4S)-1-[8-chloro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-[(3S)-oxolan-3-yl]piperidin-4-amine;(2R,4R)-1-[6-chloro-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-[(3R)-oxolan-3-yl]piperidin-4-amine;(2R,4R)-1-[6-chloro-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-[(3S)-oxolan-3-yl]piperidin-4-amine;4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[(2R,4R)-2-methyl-4-[[(3R)-oxolan-3-yl]amino]piperidin-1-yl]quinoline-8-carbonitrile;4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[(2R,4R)-2-methyl-4-[[(3S)-oxolan-3-yl]amino]piperidin-1-yl]quinoline-8-carbonitrile;(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 157661872

Frequently Asked Questions

What is the IUPAC name of 1-[6-(1,1-difluoroethyl)-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3R)-oxolan-3-yl]piperidin-4-amine;1-[6-ethoxy-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3R)-oxolan-3-yl]piperidin-4-amine;1-[6-ethoxy-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3S)-oxolan-3-yl]piperidin-4-amine;6-ethyl-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[4-[[(3R)-oxolan-3-yl]amino]piperidin-1-yl]quinoline-8-carbonitrile;1-[8-fluoro-6-(2-fluoroethyl)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3S)-oxolan-3-yl]piperidin-4-amine;1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-propan-2-yloxyquinolin-2-yl]-N-[(3R)-oxolan-3-yl]piperidin-4-amine?
The IUPAC name of 1-[6-(1,1-difluoroethyl)-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3R)-oxolan-3-yl]piperidin-4-amine;1-[6-ethoxy-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3R)-oxolan-3-yl]piperidin-4-amine;1-[6-ethoxy-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3S)-oxolan-3-yl]piperidin-4-amine;6-ethyl-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[4-[[(3R)-oxolan-3-yl]amino]piperidin-1-yl]quinoline-8-carbonitrile;1-[8-fluoro-6-(2-fluoroethyl)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3S)-oxolan-3-yl]piperidin-4-amine;1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-propan-2-yloxyquinolin-2-yl]-N-[(3R)-oxolan-3-yl]piperidin-4-amine (CID 158619643) is 1-[6-(1,1-difluoroethyl)-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3R)-oxolan-3-yl]piperidin-4-amine;1-[6-ethoxy-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3R)-oxolan-3-yl]piperidin-4-amine;1-[6-ethoxy-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3S)-oxolan-3-yl]piperidin-4-amine;6-ethyl-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[4-[[(3R)-oxolan-3-yl]amino]piperidin-1-yl]quinoline-8-carbonitrile;1-[8-fluoro-6-(2-fluoroethyl)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3S)-oxolan-3-yl]piperidin-4-amine;1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-propan-2-yloxyquinolin-2-yl]-N-[(3R)-oxolan-3-yl]piperidin-4-amine.
What is the SMILES notation for 1-[6-(1,1-difluoroethyl)-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3R)-oxolan-3-yl]piperidin-4-amine;1-[6-ethoxy-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3R)-oxolan-3-yl]piperidin-4-amine;1-[6-ethoxy-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3S)-oxolan-3-yl]piperidin-4-amine;6-ethyl-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[4-[[(3R)-oxolan-3-yl]amino]piperidin-1-yl]quinoline-8-carbonitrile;1-[8-fluoro-6-(2-fluoroethyl)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3S)-oxolan-3-yl]piperidin-4-amine;1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-propan-2-yloxyquinolin-2-yl]-N-[(3R)-oxolan-3-yl]piperidin-4-amine?
The canonical SMILES for 1-[6-(1,1-difluoroethyl)-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3R)-oxolan-3-yl]piperidin-4-amine;1-[6-ethoxy-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3R)-oxolan-3-yl]piperidin-4-amine;1-[6-ethoxy-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3S)-oxolan-3-yl]piperidin-4-amine;6-ethyl-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[4-[[(3R)-oxolan-3-yl]amino]piperidin-1-yl]quinoline-8-carbonitrile;1-[8-fluoro-6-(2-fluoroethyl)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3S)-oxolan-3-yl]piperidin-4-amine;1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-propan-2-yloxyquinolin-2-yl]-N-[(3R)-oxolan-3-yl]piperidin-4-amine is CCOc1cc(F)c2nc(N3CCC(N[C@@H]4CCOC4)CC3)c(-c3nc(C)no3)c(C)c2c1.CCOc1cc(F)c2nc(N3CCC(N[C@H]4CCOC4)CC3)c(-c3nc(C)no3)c(C)c2c1.CCc1cc(C#N)c2nc(N3CCC(N[C@@H]4CCOC4)CC3)c(-c3nc(C)no3)c(C)c2c1.Cc1noc(-c2c(N3CCC(N[C@@H]4CCOC4)CC3)nc3c(F)cc(C(C)(F)F)cc3c2C)n1.Cc1noc(-c2c(N3CCC(N[C@@H]4CCOC4)CC3)nc3c(F)cc(OC(C)C)cc3c2C)n1.Cc1noc(-c2c(N3CCC(N[C@H]4CCOC4)CC3)nc3c(F)cc(CCF)cc3c2C)n1.
What is the InChIKey of 1-[6-(1,1-difluoroethyl)-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3R)-oxolan-3-yl]piperidin-4-amine;1-[6-ethoxy-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3R)-oxolan-3-yl]piperidin-4-amine;1-[6-ethoxy-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3S)-oxolan-3-yl]piperidin-4-amine;6-ethyl-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[4-[[(3R)-oxolan-3-yl]amino]piperidin-1-yl]quinoline-8-carbonitrile;1-[8-fluoro-6-(2-fluoroethyl)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3S)-oxolan-3-yl]piperidin-4-amine;1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-propan-2-yloxyquinolin-2-yl]-N-[(3R)-oxolan-3-yl]piperidin-4-amine?
The InChIKey is HXVKCMKWFSPKMD-GUGSTKKMSA-N. The full InChI is InChI=1S/C25H32FN5O3.C25H30N6O2.C24H28F3N5O2.C24H29F2N5O2.2C24H30FN5O3/c1-14(2)33-19-11-20-15(3)22(25-27-16(4)30-34-25)24(29-23(20)21(26)12-19)31-8-5-17(6-9-31)28-18-7-10-32-13-18;1-4-17-11-18(13-26)23-21(12-17)15(2)22(25-27-16(3)30-33-25)24(29-23)31-8-5-19(6-9-31)28-20-7-10-32-14-20;1-13-18-10-15(24(3,26)27)11-19(25)21(18)30-22(20(13)23-28-14(2)31-34-23)32-7-4-16(5-8-32)29-17-6-9-33-12-17;1-14-19-11-16(3-7-25)12-20(26)22(19)29-23(21(14)24-27-15(2)30-33-24)31-8-4-17(5-9-31)28-18-6-10-32-13-18;2*1-4-32-18-11-19-14(2)21(24-26-15(3)29-33-24)23(28-22(19)20(25)12-18)30-8-5-16(6-9-30)27-17-7-10-31-13-17/h11-12,14,17-18,28H,5-10,13H2,1-4H3;11-12,19-20,28H,4-10,14H2,1-3H3;10-11,16-17,29H,4-9,12H2,1-3H3;11-12,17-18,28H,3-10,13H2,1-2H3;2*11-12,16-17,27H,4-10,13H2,1-3H3/t18-;20-;17-;18-;2*17-/m111010/s1.
What are the key properties of 1-[6-(1,1-difluoroethyl)-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3R)-oxolan-3-yl]piperidin-4-amine;1-[6-ethoxy-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3R)-oxolan-3-yl]piperidin-4-amine;1-[6-ethoxy-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3S)-oxolan-3-yl]piperidin-4-amine;6-ethyl-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[4-[[(3R)-oxolan-3-yl]amino]piperidin-1-yl]quinoline-8-carbonitrile;1-[8-fluoro-6-(2-fluoroethyl)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3S)-oxolan-3-yl]piperidin-4-amine;1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-propan-2-yloxyquinolin-2-yl]-N-[(3R)-oxolan-3-yl]piperidin-4-amine?
1-[6-(1,1-difluoroethyl)-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3R)-oxolan-3-yl]piperidin-4-amine;1-[6-ethoxy-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3R)-oxolan-3-yl]piperidin-4-amine;1-[6-ethoxy-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3S)-oxolan-3-yl]piperidin-4-amine;6-ethyl-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[4-[[(3R)-oxolan-3-yl]amino]piperidin-1-yl]quinoline-8-carbonitrile;1-[8-fluoro-6-(2-fluoroethyl)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3S)-oxolan-3-yl]piperidin-4-amine;1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-propan-2-yloxyquinolin-2-yl]-N-[(3R)-oxolan-3-yl]piperidin-4-amine has a molecular weight of 2760.22 g/mol, XLogP of 23.83, 34 rotatable bonds, 6 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(1,1-difluoroethyl)-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3R)-oxolan-3-yl]piperidin-4-amine;1-[6-ethoxy-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3R)-oxolan-3-yl]piperidin-4-amine;1-[6-ethoxy-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3S)-oxolan-3-yl]piperidin-4-amine;6-ethyl-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[4-[[(3R)-oxolan-3-yl]amino]piperidin-1-yl]quinoline-8-carbonitrile;1-[8-fluoro-6-(2-fluoroethyl)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3S)-oxolan-3-yl]piperidin-4-amine;1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-propan-2-yloxyquinolin-2-yl]-N-[(3R)-oxolan-3-yl]piperidin-4-amine is sourced from PubChem (CID 158619643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).