1-[7,8-difluoro-6-methoxy-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;(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;(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;(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;(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;1-[8-fluoro-6-methoxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine

C143H173F11N30O18 — CID 157095601

IUPAC1-[7,8-difluoro-6-methoxy-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;(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;(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;(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;(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;1-[8-fluoro-6-methoxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine
SMILESCOc1cc(F)c2nc(N3CCC(NC4CCOCC4)CC3)c(-c3nc(C)no3)cc2c1.COc1cc(F)c2nc(N3CC[C@@H](NC4CCOCC4)[C@@H](F)C3)c(-c3nc(C)no3)c(C)c2c1.COc1cc(F)c2nc(N3CC[C@@H](NC4CCOCC4)[C@H](F)C3)c(-c3nc(C)no3)c(C)c2c1.COc1cc(F)c2nc(N3CC[C@H](NC4CCOCC4)[C@@H](F)C3)c(-c3nc(C)no3)c(C)c2c1.COc1cc(F)c2nc(N3CC[C@H](NC4CCOCC4)[C@H](F)C3)c(-c3nc(C)no3)c(C)c2c1.COc1cc2c(C)c(-c3nc(C)no3)c(N3CCC(NC4CCOCC4)CC3)nc2c(F)c1F
InChIInChI=1S/5C24H29F2N5O3.C23H28FN5O3/c1-13-17-12-18(32-3)20(25)21(26)22(17)29-23(19(13)24-27-14(2)30-34-24)31-8-4-15(5-9-31)28-16-6-10-33-11-7-16;4*1-13-17-10-16(32-3)11-18(25)22(17)29-23(21(13)24-27-14(2)30-34-24)31-7-4-20(19(26)12-31)28-15-5-8-33-9-6-15;1-14-25-23(32-28-14)19-12-15-11-18(30-2)13-20(24)21(15)27-22(19)29-7-3-16(4-8-29)26-17-5-9-31-10-6-17/h12,15-16,28H,4-11H2,1-3H3;4*10-11,15,19-20,28H,4-9,12H2,1-3H3;11-13,16-17,26H,3-10H2,1-2H3/t;2*19-,20+;2*19-,20-;/m.1010./s1
InChIKeyAFEFWCPMMAGEGO-YLEGAQKQSA-N
MW2809.13 g/mol
LogP22.34
Rot. Bonds30

About 1-[7,8-difluoro-6-methoxy-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;(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;(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;(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;(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;1-[8-fluoro-6-methoxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine

1-[7,8-difluoro-6-methoxy-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;(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;(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;(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;(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;1-[8-fluoro-6-methoxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine (PubChem CID 157095601) has the molecular formula C143H173F11N30O18 and a molecular weight of 2809.13 g/mol. Its IUPAC name is 1-[7,8-difluoro-6-methoxy-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;(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;(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;(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;(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;1-[8-fluoro-6-methoxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine.

Molecular Properties

Compound Name1-[7,8-difluoro-6-methoxy-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;(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;(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;(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;(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;1-[8-fluoro-6-methoxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine
PubChem CID157095601
Molecular FormulaC143H173F11N30O18
Molecular Weight2809.13 g/mol
Exact Mass2807.34
IUPAC Name1-[7,8-difluoro-6-methoxy-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;(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;(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;(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;(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;1-[8-fluoro-6-methoxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine
SMILESCOc1cc(F)c2nc(N3CCC(NC4CCOCC4)CC3)c(-c3nc(C)no3)cc2c1.COc1cc(F)c2nc(N3CC[C@@H](NC4CCOCC4)[C@@H](F)C3)c(-c3nc(C)no3)c(C)c2c1.COc1cc(F)c2nc(N3CC[C@@H](NC4CCOCC4)[C@H](F)C3)c(-c3nc(C)no3)c(C)c2c1.COc1cc(F)c2nc(N3CC[C@H](NC4CCOCC4)[C@@H](F)C3)c(-c3nc(C)no3)c(C)c2c1.COc1cc(F)c2nc(N3CC[C@H](NC4CCOCC4)[C@H](F)C3)c(-c3nc(C)no3)c(C)c2c1.COc1cc2c(C)c(-c3nc(C)no3)c(N3CCC(NC4CCOCC4)CC3)nc2c(F)c1F
InChIInChI=1S/5C24H29F2N5O3.C23H28FN5O3/c1-13-17-12-18(32-3)20(25)21(26)22(17)29-23(19(13)24-27-14(2)30-34-24)31-8-4-15(5-9-31)28-16-6-10-33-11-7-16;4*1-13-17-10-16(32-3)11-18(25)22(17)29-23(21(13)24-27-14(2)30-34-24)31-7-4-20(19(26)12-31)28-15-5-8-33-9-6-15;1-14-25-23(32-28-14)19-12-15-11-18(30-2)13-20(24)21(15)27-22(19)29-7-3-16(4-8-29)26-17-5-9-31-10-6-17/h12,15-16,28H,4-11H2,1-3H3;4*10-11,15,19-20,28H,4-9,12H2,1-3H3;11-13,16-17,26H,3-10H2,1-2H3/t;2*19-,20+;2*19-,20-;/m.1010./s1
InChIKeyAFEFWCPMMAGEGO-YLEGAQKQSA-N
XLogP22.34
TPSA513.24 Ų
H-Bond Donors6
H-Bond Acceptors48
Rotatable Bonds30
Heavy Atoms202
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002809.13
LogP ≤ 522.34
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1048

Analyze 1-[7,8-difluoro-6-methoxy-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;(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;(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;(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;(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;1-[8-fluoro-6-methoxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

(3S,4R)-3-fluoro-1-[8-fluoro-6-methoxy-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3S)-oxolan-3-yl]piperidin-4-amine
CID 137434314
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
(2S,4R)-1-[8-fluoro-6-methoxy-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 135329016
(2R,4S)-1-[8-fluoro-6-methoxy-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 135329026
(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
(2S,4R)-1-[8-fluoro-6-methoxy-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 135329043
(2R,4R)-1-[8-fluoro-6-methoxy-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 135329045
(2R,4R)-1-[8-fluoro-6-methoxy-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 135329073
(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
(2R,4S)-1-[8-fluoro-6-methoxy-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 135329091
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

Frequently Asked Questions

What is the IUPAC name of 1-[7,8-difluoro-6-methoxy-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;(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;(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;(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;(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;1-[8-fluoro-6-methoxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine?
The IUPAC name of 1-[7,8-difluoro-6-methoxy-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;(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;(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;(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;(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;1-[8-fluoro-6-methoxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine (CID 157095601) is 1-[7,8-difluoro-6-methoxy-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;(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;(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;(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;(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;1-[8-fluoro-6-methoxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine.
What is the SMILES notation for 1-[7,8-difluoro-6-methoxy-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;(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;(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;(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;(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;1-[8-fluoro-6-methoxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine?
The canonical SMILES for 1-[7,8-difluoro-6-methoxy-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;(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;(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;(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;(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;1-[8-fluoro-6-methoxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine is COc1cc(F)c2nc(N3CCC(NC4CCOCC4)CC3)c(-c3nc(C)no3)cc2c1.COc1cc(F)c2nc(N3CC[C@@H](NC4CCOCC4)[C@@H](F)C3)c(-c3nc(C)no3)c(C)c2c1.COc1cc(F)c2nc(N3CC[C@@H](NC4CCOCC4)[C@H](F)C3)c(-c3nc(C)no3)c(C)c2c1.COc1cc(F)c2nc(N3CC[C@H](NC4CCOCC4)[C@@H](F)C3)c(-c3nc(C)no3)c(C)c2c1.COc1cc(F)c2nc(N3CC[C@H](NC4CCOCC4)[C@H](F)C3)c(-c3nc(C)no3)c(C)c2c1.COc1cc2c(C)c(-c3nc(C)no3)c(N3CCC(NC4CCOCC4)CC3)nc2c(F)c1F.
What is the InChIKey of 1-[7,8-difluoro-6-methoxy-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;(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;(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;(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;(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;1-[8-fluoro-6-methoxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine?
The InChIKey is AFEFWCPMMAGEGO-YLEGAQKQSA-N. The full InChI is InChI=1S/5C24H29F2N5O3.C23H28FN5O3/c1-13-17-12-18(32-3)20(25)21(26)22(17)29-23(19(13)24-27-14(2)30-34-24)31-8-4-15(5-9-31)28-16-6-10-33-11-7-16;4*1-13-17-10-16(32-3)11-18(25)22(17)29-23(21(13)24-27-14(2)30-34-24)31-7-4-20(19(26)12-31)28-15-5-8-33-9-6-15;1-14-25-23(32-28-14)19-12-15-11-18(30-2)13-20(24)21(15)27-22(19)29-7-3-16(4-8-29)26-17-5-9-31-10-6-17/h12,15-16,28H,4-11H2,1-3H3;4*10-11,15,19-20,28H,4-9,12H2,1-3H3;11-13,16-17,26H,3-10H2,1-2H3/t;2*19-,20+;2*19-,20-;/m.1010./s1.
What are the key properties of 1-[7,8-difluoro-6-methoxy-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;(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;(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;(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;(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;1-[8-fluoro-6-methoxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine?
1-[7,8-difluoro-6-methoxy-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;(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;(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;(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;(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;1-[8-fluoro-6-methoxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine has a molecular weight of 2809.13 g/mol, XLogP of 22.34, 30 rotatable bonds, 6 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7,8-difluoro-6-methoxy-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;(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;(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;(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;(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;1-[8-fluoro-6-methoxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine is sourced from PubChem (CID 157095601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).