(6aS,11aS)-N-[(2,4-difluorophenyl)methyl]-1,6a-dihydroxy-11a-methyl-2,12-dioxo-6,7,8,9,10,11-hexahydrocyclohepta[b]quinolizine-3-carboxamide;(6aR,11aS)-N-[(2,4-difluorophenyl)methyl]-1,6a-dihydroxy-11a-methyl-2,12-dioxo-6,7,8,9,10,11-hexahydrocyclohepta[b]quinolizine-3-carboxamide;(6aS,11aR)-N-[(2,4-difluorophenyl)methyl]-1,6a-dihydroxy-11a-methyl-2,12-dioxo-6,7,8,9,10,11-hexahydrocyclohepta[b]quinolizine-3-carboxamide;(6aR,11aR)-N-[(2,4-difluorophenyl)methyl]-1,6a-dihydroxy-11a-methyl-2,12-dioxo-6,7,8,9,10,11-hexahydrocyclohepta[b]quinolizine-3-carboxamide;(6aS,11aS)-N-[(2,4-difluorophenyl)methyl]-6a-hydroxy-1-methoxy-11a-methyl-2,12-dioxo-6,7,8,9,10,11-hexahydrocyclohepta[b]quinolizine-3-carboxamide;(6aR,11aS)-N-[(2,4-difluorophenyl)methyl]-6a-hydroxy-1-methoxy-11a-methyl-2,12-dioxo-6,7,8,9,10,11-hexahydrocyclohepta[b]quinolizine-3-carboxamide;(6aS,11aR)-N-[(2,4-difluorophenyl)methyl]-6a-hydroxy-1-methoxy-11a-methyl-2,12-dioxo-6,7,8,9,10,11-hexahydrocyclohepta[b]quinolizine-3-carboxamide;(6aR,11aR)-N-[(2,4-difluorophenyl)methyl]-6a-hydroxy-1-methoxy-11a-methyl-2,12-dioxo-6,7,8,9,10,11-hexahydrocyclohepta[b]quinolizine-3-carboxamide

C188H200F16N16O40 — CID 158306117

IUPAC(6aS,11aS)-N-[(2,4-difluorophenyl)methyl]-1,6a-dihydroxy-11a-methyl-2,12-dioxo-6,7,8,9,10,11-hexahydrocyclohepta[b]quinolizine-3-carboxamide;(6aR,11aS)-N-[(2,4-difluorophenyl)methyl]-1,6a-dihydroxy-11a-methyl-2,12-dioxo-6,7,8,9,10,11-hexahydrocyclohepta[b]quinolizine-3-carboxamide;(6aS,11aR)-N-[(2,4-difluorophenyl)methyl]-1,6a-dihydroxy-11a-methyl-2,12-dioxo-6,7,8,9,10,11-hexahydrocyclohepta[b]quinolizine-3-carboxamide;(6aR,11aR)-N-[(2,4-difluorophenyl)methyl]-1,6a-dihydroxy-11a-methyl-2,12-dioxo-6,7,8,9,10,11-hexahydrocyclohepta[b]quinolizine-3-carboxamide;(6aS,11aS)-N-[(2,4-difluorophenyl)methyl]-6a-hydroxy-1-methoxy-11a-methyl-2,12-dioxo-6,7,8,9,10,11-hexahydrocyclohepta[b]quinolizine-3-carboxamide;(6aR,11aS)-N-[(2,4-difluorophenyl)methyl]-6a-hydroxy-1-methoxy-11a-methyl-2,12-dioxo-6,7,8,9,10,11-hexahydrocyclohepta[b]quinolizine-3-carboxamide;(6aS,11aR)-N-[(2,4-difluorophenyl)methyl]-6a-hydroxy-1-methoxy-11a-methyl-2,12-dioxo-6,7,8,9,10,11-hexahydrocyclohepta[b]quinolizine-3-carboxamide;(6aR,11aR)-N-[(2,4-difluorophenyl)methyl]-6a-hydroxy-1-methoxy-11a-methyl-2,12-dioxo-6,7,8,9,10,11-hexahydrocyclohepta[b]quinolizine-3-carboxamide
SMILESCOc1c2n(cc(C(=O)NCc3ccc(F)cc3F)c1=O)C[C@@]1(O)CCCCC[C@@]1(C)C2=O.COc1c2n(cc(C(=O)NCc3ccc(F)cc3F)c1=O)C[C@@]1(O)CCCCC[C@]1(C)C2=O.COc1c2n(cc(C(=O)NCc3ccc(F)cc3F)c1=O)C[C@]1(O)CCCCC[C@@]1(C)C2=O.COc1c2n(cc(C(=O)NCc3ccc(F)cc3F)c1=O)C[C@]1(O)CCCCC[C@]1(C)C2=O.C[C@@]12CCCCC[C@@]1(O)Cn1cc(C(=O)NCc3ccc(F)cc3F)c(=O)c(O)c1C2=O.C[C@@]12CCCCC[C@]1(O)Cn1cc(C(=O)NCc3ccc(F)cc3F)c(=O)c(O)c1C2=O.C[C@]12CCCCC[C@@]1(O)Cn1cc(C(=O)NCc3ccc(F)cc3F)c(=O)c(O)c1C2=O.C[C@]12CCCCC[C@]1(O)Cn1cc(C(=O)NCc3ccc(F)cc3F)c(=O)c(O)c1C2=O
InChIInChI=1S/4C24H26F2N2O5.4C23H24F2N2O5/c4*1-23-8-4-3-5-9-24(23,32)13-28-12-16(19(29)20(33-2)18(28)21(23)30)22(31)27-11-14-6-7-15(25)10-17(14)26;4*1-22-7-3-2-4-8-23(22,32)12-27-11-15(18(28)19(29)17(27)20(22)30)21(31)26-10-13-5-6-14(24)9-16(13)25/h4*6-7,10,12,32H,3-5,8-9,11,13H2,1-2H3,(H,27,31);4*5-6,9,11,29,32H,2-4,7-8,10,12H2,1H3,(H,26,31)/t2*23-,24+;2*23-,24-;2*22-,23+;2*22-,23-/m10101010/s1
InChIKeyGNCGIICIKNFUPF-DXHMBIDGSA-N
MW3627.71 g/mol
LogP22.49
Rot. Bonds28

About (6aS,11aS)-N-[(2,4-difluorophenyl)methyl]-1,6a-dihydroxy-11a-methyl-2,12-dioxo-6,7,8,9,10,11-hexahydrocyclohepta[b]quinolizine-3-carboxamide;(6aR,11aS)-N-[(2,4-difluorophenyl)methyl]-1,6a-dihydroxy-11a-methyl-2,12-dioxo-6,7,8,9,10,11-hexahydrocyclohepta[b]quinolizine-3-carboxamide;(6aS,11aR)-N-[(2,4-difluorophenyl)methyl]-1,6a-dihydroxy-11a-methyl-2,12-dioxo-6,7,8,9,10,11-hexahydrocyclohepta[b]quinolizine-3-carboxamide;(6aR,11aR)-N-[(2,4-difluorophenyl)methyl]-1,6a-dihydroxy-11a-methyl-2,12-dioxo-6,7,8,9,10,11-hexahydrocyclohepta[b]quinolizine-3-carboxamide;(6aS,11aS)-N-[(2,4-difluorophenyl)methyl]-6a-hydroxy-1-methoxy-11a-methyl-2,12-dioxo-6,7,8,9,10,11-hexahydrocyclohepta[b]quinolizine-3-carboxamide;(6aR,11aS)-N-[(2,4-difluorophenyl)methyl]-6a-hydroxy-1-methoxy-11a-methyl-2,12-dioxo-6,7,8,9,10,11-hexahydrocyclohepta[b]quinolizine-3-carboxamide;(6aS,11aR)-N-[(2,4-difluorophenyl)methyl]-6a-hydroxy-1-methoxy-11a-methyl-2,12-dioxo-6,7,8,9,10,11-hexahydrocyclohepta[b]quinolizine-3-carboxamide;(6aR,11aR)-N-[(2,4-difluorophenyl)methyl]-6a-hydroxy-1-methoxy-11a-methyl-2,12-dioxo-6,7,8,9,10,11-hexahydrocyclohepta[b]quinolizine-3-carboxamide

(6aS,11aS)-N-[(2,4-difluorophenyl)methyl]-1,6a-dihydroxy-11a-methyl-2,12-dioxo-6,7,8,9,10,11-hexahydrocyclohepta[b]quinolizine-3-carboxamide;(6aR,11aS)-N-[(2,4-difluorophenyl)methyl]-1,6a-dihydroxy-11a-methyl-2,12-dioxo-6,7,8,9,10,11-hexahydrocyclohepta[b]quinolizine-3-carboxamide;(6aS,11aR)-N-[(2,4-difluorophenyl)methyl]-1,6a-dihydroxy-11a-methyl-2,12-dioxo-6,7,8,9,10,11-hexahydrocyclohepta[b]quinolizine-3-carboxamide;(6aR,11aR)-N-[(2,4-difluorophenyl)methyl]-1,6a-dihydroxy-11a-methyl-2,12-dioxo-6,7,8,9,10,11-hexahydrocyclohepta[b]quinolizine-3-carboxamide;(6aS,11aS)-N-[(2,4-difluorophenyl)methyl]-6a-hydroxy-1-methoxy-11a-methyl-2,12-dioxo-6,7,8,9,10,11-hexahydrocyclohepta[b]quinolizine-3-carboxamide;(6aR,11aS)-N-[(2,4-difluorophenyl)methyl]-6a-hydroxy-1-methoxy-11a-methyl-2,12-dioxo-6,7,8,9,10,11-hexahydrocyclohepta[b]quinolizine-3-carboxamide;(6aS,11aR)-N-[(2,4-difluorophenyl)methyl]-6a-hydroxy-1-methoxy-11a-methyl-2,12-dioxo-6,7,8,9,10,11-hexahydrocyclohepta[b]quinolizine-3-carboxamide;(6aR,11aR)-N-[(2,4-difluorophenyl)methyl]-6a-hydroxy-1-methoxy-11a-methyl-2,12-dioxo-6,7,8,9,10,11-hexahydrocyclohepta[b]quinolizine-3-carboxamide (PubChem CID 158306117) has the molecular formula C188H200F16N16O40 and a molecular weight of 3627.71 g/mol. Its IUPAC name is (6aS,11aS)-N-[(2,4-difluorophenyl)methyl]-1,6a-dihydroxy-11a-methyl-2,12-dioxo-6,7,8,9,10,11-hexahydrocyclohepta[b]quinolizine-3-carboxamide;(6aR,11aS)-N-[(2,4-difluorophenyl)methyl]-1,6a-dihydroxy-11a-methyl-2,12-dioxo-6,7,8,9,10,11-hexahydrocyclohepta[b]quinolizine-3-carboxamide;(6aS,11aR)-N-[(2,4-difluorophenyl)methyl]-1,6a-dihydroxy-11a-methyl-2,12-dioxo-6,7,8,9,10,11-hexahydrocyclohepta[b]quinolizine-3-carboxamide;(6aR,11aR)-N-[(2,4-difluorophenyl)methyl]-1,6a-dihydroxy-11a-methyl-2,12-dioxo-6,7,8,9,10,11-hexahydrocyclohepta[b]quinolizine-3-carboxamide;(6aS,11aS)-N-[(2,4-difluorophenyl)methyl]-6a-hydroxy-1-methoxy-11a-methyl-2,12-dioxo-6,7,8,9,10,11-hexahydrocyclohepta[b]quinolizine-3-carboxamide;(6aR,11aS)-N-[(2,4-difluorophenyl)methyl]-6a-hydroxy-1-methoxy-11a-methyl-2,12-dioxo-6,7,8,9,10,11-hexahydrocyclohepta[b]quinolizine-3-carboxamide;(6aS,11aR)-N-[(2,4-difluorophenyl)methyl]-6a-hydroxy-1-methoxy-11a-methyl-2,12-dioxo-6,7,8,9,10,11-hexahydrocyclohepta[b]quinolizine-3-carboxamide;(6aR,11aR)-N-[(2,4-difluorophenyl)methyl]-6a-hydroxy-1-methoxy-11a-methyl-2,12-dioxo-6,7,8,9,10,11-hexahydrocyclohepta[b]quinolizine-3-carboxamide.

Molecular Properties

Compound Name(6aS,11aS)-N-[(2,4-difluorophenyl)methyl]-1,6a-dihydroxy-11a-methyl-2,12-dioxo-6,7,8,9,10,11-hexahydrocyclohepta[b]quinolizine-3-carboxamide;(6aR,11aS)-N-[(2,4-difluorophenyl)methyl]-1,6a-dihydroxy-11a-methyl-2,12-dioxo-6,7,8,9,10,11-hexahydrocyclohepta[b]quinolizine-3-carboxamide;(6aS,11aR)-N-[(2,4-difluorophenyl)methyl]-1,6a-dihydroxy-11a-methyl-2,12-dioxo-6,7,8,9,10,11-hexahydrocyclohepta[b]quinolizine-3-carboxamide;(6aR,11aR)-N-[(2,4-difluorophenyl)methyl]-1,6a-dihydroxy-11a-methyl-2,12-dioxo-6,7,8,9,10,11-hexahydrocyclohepta[b]quinolizine-3-carboxamide;(6aS,11aS)-N-[(2,4-difluorophenyl)methyl]-6a-hydroxy-1-methoxy-11a-methyl-2,12-dioxo-6,7,8,9,10,11-hexahydrocyclohepta[b]quinolizine-3-carboxamide;(6aR,11aS)-N-[(2,4-difluorophenyl)methyl]-6a-hydroxy-1-methoxy-11a-methyl-2,12-dioxo-6,7,8,9,10,11-hexahydrocyclohepta[b]quinolizine-3-carboxamide;(6aS,11aR)-N-[(2,4-difluorophenyl)methyl]-6a-hydroxy-1-methoxy-11a-methyl-2,12-dioxo-6,7,8,9,10,11-hexahydrocyclohepta[b]quinolizine-3-carboxamide;(6aR,11aR)-N-[(2,4-difluorophenyl)methyl]-6a-hydroxy-1-methoxy-11a-methyl-2,12-dioxo-6,7,8,9,10,11-hexahydrocyclohepta[b]quinolizine-3-carboxamide
PubChem CID158306117
Molecular FormulaC188H200F16N16O40
Molecular Weight3627.71 g/mol
Exact Mass3625.39
IUPAC Name(6aS,11aS)-N-[(2,4-difluorophenyl)methyl]-1,6a-dihydroxy-11a-methyl-2,12-dioxo-6,7,8,9,10,11-hexahydrocyclohepta[b]quinolizine-3-carboxamide;(6aR,11aS)-N-[(2,4-difluorophenyl)methyl]-1,6a-dihydroxy-11a-methyl-2,12-dioxo-6,7,8,9,10,11-hexahydrocyclohepta[b]quinolizine-3-carboxamide;(6aS,11aR)-N-[(2,4-difluorophenyl)methyl]-1,6a-dihydroxy-11a-methyl-2,12-dioxo-6,7,8,9,10,11-hexahydrocyclohepta[b]quinolizine-3-carboxamide;(6aR,11aR)-N-[(2,4-difluorophenyl)methyl]-1,6a-dihydroxy-11a-methyl-2,12-dioxo-6,7,8,9,10,11-hexahydrocyclohepta[b]quinolizine-3-carboxamide;(6aS,11aS)-N-[(2,4-difluorophenyl)methyl]-6a-hydroxy-1-methoxy-11a-methyl-2,12-dioxo-6,7,8,9,10,11-hexahydrocyclohepta[b]quinolizine-3-carboxamide;(6aR,11aS)-N-[(2,4-difluorophenyl)methyl]-6a-hydroxy-1-methoxy-11a-methyl-2,12-dioxo-6,7,8,9,10,11-hexahydrocyclohepta[b]quinolizine-3-carboxamide;(6aS,11aR)-N-[(2,4-difluorophenyl)methyl]-6a-hydroxy-1-methoxy-11a-methyl-2,12-dioxo-6,7,8,9,10,11-hexahydrocyclohepta[b]quinolizine-3-carboxamide;(6aR,11aR)-N-[(2,4-difluorophenyl)methyl]-6a-hydroxy-1-methoxy-11a-methyl-2,12-dioxo-6,7,8,9,10,11-hexahydrocyclohepta[b]quinolizine-3-carboxamide
SMILESCOc1c2n(cc(C(=O)NCc3ccc(F)cc3F)c1=O)C[C@@]1(O)CCCCC[C@@]1(C)C2=O.COc1c2n(cc(C(=O)NCc3ccc(F)cc3F)c1=O)C[C@@]1(O)CCCCC[C@]1(C)C2=O.COc1c2n(cc(C(=O)NCc3ccc(F)cc3F)c1=O)C[C@]1(O)CCCCC[C@@]1(C)C2=O.COc1c2n(cc(C(=O)NCc3ccc(F)cc3F)c1=O)C[C@]1(O)CCCCC[C@]1(C)C2=O.C[C@@]12CCCCC[C@@]1(O)Cn1cc(C(=O)NCc3ccc(F)cc3F)c(=O)c(O)c1C2=O.C[C@@]12CCCCC[C@]1(O)Cn1cc(C(=O)NCc3ccc(F)cc3F)c(=O)c(O)c1C2=O.C[C@]12CCCCC[C@@]1(O)Cn1cc(C(=O)NCc3ccc(F)cc3F)c(=O)c(O)c1C2=O.C[C@]12CCCCC[C@]1(O)Cn1cc(C(=O)NCc3ccc(F)cc3F)c(=O)c(O)c1C2=O
InChIInChI=1S/4C24H26F2N2O5.4C23H24F2N2O5/c4*1-23-8-4-3-5-9-24(23,32)13-28-12-16(19(29)20(33-2)18(28)21(23)30)22(31)27-11-14-6-7-15(25)10-17(14)26;4*1-22-7-3-2-4-8-23(22,32)12-27-11-15(18(28)19(29)17(27)20(22)30)21(31)26-10-13-5-6-14(24)9-16(13)25/h4*6-7,10,12,32H,3-5,8-9,11,13H2,1-2H3,(H,27,31);4*5-6,9,11,29,32H,2-4,7-8,10,12H2,1H3,(H,26,31)/t2*23-,24+;2*23-,24-;2*22-,23+;2*22-,23-/m10101010/s1
InChIKeyGNCGIICIKNFUPF-DXHMBIDGSA-N
XLogP22.49
TPSA825.04 Ų
H-Bond Donors20
H-Bond Acceptors48
Rotatable Bonds28
Heavy Atoms260
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003627.71
LogP ≤ 522.49
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 1048

Analyze (6aS,11aS)-N-[(2,4-difluorophenyl)methyl]-1,6a-dihydroxy-11a-methyl-2,12-dioxo-6,7,8,9,10,11-hexahydrocyclohepta[b]quinolizine-3-carboxamide;(6aR,11aS)-N-[(2,4-difluorophenyl)methyl]-1,6a-dihydroxy-11a-methyl-2,12-dioxo-6,7,8,9,10,11-hexahydrocyclohepta[b]quinolizine-3-carboxamide;(6aS,11aR)-N-[(2,4-difluorophenyl)methyl]-1,6a-dihydroxy-11a-methyl-2,12-dioxo-6,7,8,9,10,11-hexahydrocyclohepta[b]quinolizine-3-carboxamide;(6aR,11aR)-N-[(2,4-difluorophenyl)methyl]-1,6a-dihydroxy-11a-methyl-2,12-dioxo-6,7,8,9,10,11-hexahydrocyclohepta[b]quinolizine-3-carboxamide;(6aS,11aS)-N-[(2,4-difluorophenyl)methyl]-6a-hydroxy-1-methoxy-11a-methyl-2,12-dioxo-6,7,8,9,10,11-hexahydrocyclohepta[b]quinolizine-3-carboxamide;(6aR,11aS)-N-[(2,4-difluorophenyl)methyl]-6a-hydroxy-1-methoxy-11a-methyl-2,12-dioxo-6,7,8,9,10,11-hexahydrocyclohepta[b]quinolizine-3-carboxamide;(6aS,11aR)-N-[(2,4-difluorophenyl)methyl]-6a-hydroxy-1-methoxy-11a-methyl-2,12-dioxo-6,7,8,9,10,11-hexahydrocyclohepta[b]quinolizine-3-carboxamide;(6aR,11aR)-N-[(2,4-difluorophenyl)methyl]-6a-hydroxy-1-methoxy-11a-methyl-2,12-dioxo-6,7,8,9,10,11-hexahydrocyclohepta[b]quinolizine-3-carboxamide with MolForge

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Related Compounds

(6aR,11aR)-N-[(2,4-difluorophenyl)methyl]-6a-hydroxy-1-methoxy-11a-methyl-2,12-dioxo-6,7,8,9,10,11-hexahydrocyclohepta[b]quinolizin-9-ylium-3-carboxamide
CID 140841367
(7R,8R)-N-[(2,4-difluorophenyl)methyl]-1,7-dimethoxy-8-(methoxymethyl)-8-methyl-2,9-dioxo-6,7-dihydroquinolizine-3-carboxamide
CID 122471196
N-[(2,4-difluorophenyl)methyl]-1-hydroxy-8-(2-methoxyethyl)-8-methyl-2,9-dioxo-6,7-dihydroquinolizine-3-carboxamide
CID 155273838
N-[(2,4-difluorophenyl)methyl]-9-hydroxy-2-methyl-1,8-dioxospiro[4H-pyrido[1,2-a]pyrazine-3,1'-cyclobutane]-7-carboxamide
CID 90245191
(8S)-N-[(2,4-difluorophenyl)methyl]-1-hydroxy-8-methyl-2,9-dioxo-8-propyl-6,7-dihydroquinolizine-3-carboxamide
CID 155273828
(7R,8S)-N-[(2,4-difluorophenyl)methyl]-1-hydroxy-7-methoxy-8-(2-methoxyethyl)-8-methyl-2,9-dioxo-6,7-dihydroquinolizine-3-carboxamide
CID 122471206
N-[(2,4-difluorophenyl)methyl]-5'-hydroxy-1'-(2-methoxyethyl)-3'-methyl-4',6'-dioxospiro[cyclopentane-1,2'-pyrido[2,1-f][1,2,4]triazine]-7'-carboxamide
CID 122660412
2-[[7-[(2,4-difluorophenyl)methylcarbamoyl]-3,9-dimethoxy-2-methyl-1,8-dioxo-3,4-dihydroquinolizin-2-yl]methoxy]ethylphosphonic acid
CID 134271328
(1R,12R)-N-[(2,4-difluorophenyl)methyl]-7-hydroxy-6,9-dioxo-3,10-diazatetracyclo[10.2.1.01,10.03,8]pentadeca-4,7-diene-5-carboxamide
CID 90479973
N-[(2,4-difluorophenyl)methyl]-1-hydroxy-6,8,8-trimethyl-2,9-dioxospiro[6H-quinolizine-7,2'-oxolane]-3-carboxamide
CID 129259923
N-[(2,4-difluorophenyl)methyl]-1-hydroxy-8-(2-methoxyethyl)-8-methyl-7-[methyl(propyl)amino]-2,9-dioxo-6,7-dihydroquinolizine-3-carboxamide
CID 145161108
8-butyl-N-[(2,4-difluorophenyl)methyl]-1-hydroxy-8-methyl-7-(2-nitrosoethoxy)-2,9-dioxo-6,7-dihydroquinolizine-3-carboxamide
CID 145161135

Frequently Asked Questions

What is the IUPAC name of (6aS,11aS)-N-[(2,4-difluorophenyl)methyl]-1,6a-dihydroxy-11a-methyl-2,12-dioxo-6,7,8,9,10,11-hexahydrocyclohepta[b]quinolizine-3-carboxamide;(6aR,11aS)-N-[(2,4-difluorophenyl)methyl]-1,6a-dihydroxy-11a-methyl-2,12-dioxo-6,7,8,9,10,11-hexahydrocyclohepta[b]quinolizine-3-carboxamide;(6aS,11aR)-N-[(2,4-difluorophenyl)methyl]-1,6a-dihydroxy-11a-methyl-2,12-dioxo-6,7,8,9,10,11-hexahydrocyclohepta[b]quinolizine-3-carboxamide;(6aR,11aR)-N-[(2,4-difluorophenyl)methyl]-1,6a-dihydroxy-11a-methyl-2,12-dioxo-6,7,8,9,10,11-hexahydrocyclohepta[b]quinolizine-3-carboxamide;(6aS,11aS)-N-[(2,4-difluorophenyl)methyl]-6a-hydroxy-1-methoxy-11a-methyl-2,12-dioxo-6,7,8,9,10,11-hexahydrocyclohepta[b]quinolizine-3-carboxamide;(6aR,11aS)-N-[(2,4-difluorophenyl)methyl]-6a-hydroxy-1-methoxy-11a-methyl-2,12-dioxo-6,7,8,9,10,11-hexahydrocyclohepta[b]quinolizine-3-carboxamide;(6aS,11aR)-N-[(2,4-difluorophenyl)methyl]-6a-hydroxy-1-methoxy-11a-methyl-2,12-dioxo-6,7,8,9,10,11-hexahydrocyclohepta[b]quinolizine-3-carboxamide;(6aR,11aR)-N-[(2,4-difluorophenyl)methyl]-6a-hydroxy-1-methoxy-11a-methyl-2,12-dioxo-6,7,8,9,10,11-hexahydrocyclohepta[b]quinolizine-3-carboxamide?
The IUPAC name of (6aS,11aS)-N-[(2,4-difluorophenyl)methyl]-1,6a-dihydroxy-11a-methyl-2,12-dioxo-6,7,8,9,10,11-hexahydrocyclohepta[b]quinolizine-3-carboxamide;(6aR,11aS)-N-[(2,4-difluorophenyl)methyl]-1,6a-dihydroxy-11a-methyl-2,12-dioxo-6,7,8,9,10,11-hexahydrocyclohepta[b]quinolizine-3-carboxamide;(6aS,11aR)-N-[(2,4-difluorophenyl)methyl]-1,6a-dihydroxy-11a-methyl-2,12-dioxo-6,7,8,9,10,11-hexahydrocyclohepta[b]quinolizine-3-carboxamide;(6aR,11aR)-N-[(2,4-difluorophenyl)methyl]-1,6a-dihydroxy-11a-methyl-2,12-dioxo-6,7,8,9,10,11-hexahydrocyclohepta[b]quinolizine-3-carboxamide;(6aS,11aS)-N-[(2,4-difluorophenyl)methyl]-6a-hydroxy-1-methoxy-11a-methyl-2,12-dioxo-6,7,8,9,10,11-hexahydrocyclohepta[b]quinolizine-3-carboxamide;(6aR,11aS)-N-[(2,4-difluorophenyl)methyl]-6a-hydroxy-1-methoxy-11a-methyl-2,12-dioxo-6,7,8,9,10,11-hexahydrocyclohepta[b]quinolizine-3-carboxamide;(6aS,11aR)-N-[(2,4-difluorophenyl)methyl]-6a-hydroxy-1-methoxy-11a-methyl-2,12-dioxo-6,7,8,9,10,11-hexahydrocyclohepta[b]quinolizine-3-carboxamide;(6aR,11aR)-N-[(2,4-difluorophenyl)methyl]-6a-hydroxy-1-methoxy-11a-methyl-2,12-dioxo-6,7,8,9,10,11-hexahydrocyclohepta[b]quinolizine-3-carboxamide (CID 158306117) is (6aS,11aS)-N-[(2,4-difluorophenyl)methyl]-1,6a-dihydroxy-11a-methyl-2,12-dioxo-6,7,8,9,10,11-hexahydrocyclohepta[b]quinolizine-3-carboxamide;(6aR,11aS)-N-[(2,4-difluorophenyl)methyl]-1,6a-dihydroxy-11a-methyl-2,12-dioxo-6,7,8,9,10,11-hexahydrocyclohepta[b]quinolizine-3-carboxamide;(6aS,11aR)-N-[(2,4-difluorophenyl)methyl]-1,6a-dihydroxy-11a-methyl-2,12-dioxo-6,7,8,9,10,11-hexahydrocyclohepta[b]quinolizine-3-carboxamide;(6aR,11aR)-N-[(2,4-difluorophenyl)methyl]-1,6a-dihydroxy-11a-methyl-2,12-dioxo-6,7,8,9,10,11-hexahydrocyclohepta[b]quinolizine-3-carboxamide;(6aS,11aS)-N-[(2,4-difluorophenyl)methyl]-6a-hydroxy-1-methoxy-11a-methyl-2,12-dioxo-6,7,8,9,10,11-hexahydrocyclohepta[b]quinolizine-3-carboxamide;(6aR,11aS)-N-[(2,4-difluorophenyl)methyl]-6a-hydroxy-1-methoxy-11a-methyl-2,12-dioxo-6,7,8,9,10,11-hexahydrocyclohepta[b]quinolizine-3-carboxamide;(6aS,11aR)-N-[(2,4-difluorophenyl)methyl]-6a-hydroxy-1-methoxy-11a-methyl-2,12-dioxo-6,7,8,9,10,11-hexahydrocyclohepta[b]quinolizine-3-carboxamide;(6aR,11aR)-N-[(2,4-difluorophenyl)methyl]-6a-hydroxy-1-methoxy-11a-methyl-2,12-dioxo-6,7,8,9,10,11-hexahydrocyclohepta[b]quinolizine-3-carboxamide.
What is the SMILES notation for (6aS,11aS)-N-[(2,4-difluorophenyl)methyl]-1,6a-dihydroxy-11a-methyl-2,12-dioxo-6,7,8,9,10,11-hexahydrocyclohepta[b]quinolizine-3-carboxamide;(6aR,11aS)-N-[(2,4-difluorophenyl)methyl]-1,6a-dihydroxy-11a-methyl-2,12-dioxo-6,7,8,9,10,11-hexahydrocyclohepta[b]quinolizine-3-carboxamide;(6aS,11aR)-N-[(2,4-difluorophenyl)methyl]-1,6a-dihydroxy-11a-methyl-2,12-dioxo-6,7,8,9,10,11-hexahydrocyclohepta[b]quinolizine-3-carboxamide;(6aR,11aR)-N-[(2,4-difluorophenyl)methyl]-1,6a-dihydroxy-11a-methyl-2,12-dioxo-6,7,8,9,10,11-hexahydrocyclohepta[b]quinolizine-3-carboxamide;(6aS,11aS)-N-[(2,4-difluorophenyl)methyl]-6a-hydroxy-1-methoxy-11a-methyl-2,12-dioxo-6,7,8,9,10,11-hexahydrocyclohepta[b]quinolizine-3-carboxamide;(6aR,11aS)-N-[(2,4-difluorophenyl)methyl]-6a-hydroxy-1-methoxy-11a-methyl-2,12-dioxo-6,7,8,9,10,11-hexahydrocyclohepta[b]quinolizine-3-carboxamide;(6aS,11aR)-N-[(2,4-difluorophenyl)methyl]-6a-hydroxy-1-methoxy-11a-methyl-2,12-dioxo-6,7,8,9,10,11-hexahydrocyclohepta[b]quinolizine-3-carboxamide;(6aR,11aR)-N-[(2,4-difluorophenyl)methyl]-6a-hydroxy-1-methoxy-11a-methyl-2,12-dioxo-6,7,8,9,10,11-hexahydrocyclohepta[b]quinolizine-3-carboxamide?
The canonical SMILES for (6aS,11aS)-N-[(2,4-difluorophenyl)methyl]-1,6a-dihydroxy-11a-methyl-2,12-dioxo-6,7,8,9,10,11-hexahydrocyclohepta[b]quinolizine-3-carboxamide;(6aR,11aS)-N-[(2,4-difluorophenyl)methyl]-1,6a-dihydroxy-11a-methyl-2,12-dioxo-6,7,8,9,10,11-hexahydrocyclohepta[b]quinolizine-3-carboxamide;(6aS,11aR)-N-[(2,4-difluorophenyl)methyl]-1,6a-dihydroxy-11a-methyl-2,12-dioxo-6,7,8,9,10,11-hexahydrocyclohepta[b]quinolizine-3-carboxamide;(6aR,11aR)-N-[(2,4-difluorophenyl)methyl]-1,6a-dihydroxy-11a-methyl-2,12-dioxo-6,7,8,9,10,11-hexahydrocyclohepta[b]quinolizine-3-carboxamide;(6aS,11aS)-N-[(2,4-difluorophenyl)methyl]-6a-hydroxy-1-methoxy-11a-methyl-2,12-dioxo-6,7,8,9,10,11-hexahydrocyclohepta[b]quinolizine-3-carboxamide;(6aR,11aS)-N-[(2,4-difluorophenyl)methyl]-6a-hydroxy-1-methoxy-11a-methyl-2,12-dioxo-6,7,8,9,10,11-hexahydrocyclohepta[b]quinolizine-3-carboxamide;(6aS,11aR)-N-[(2,4-difluorophenyl)methyl]-6a-hydroxy-1-methoxy-11a-methyl-2,12-dioxo-6,7,8,9,10,11-hexahydrocyclohepta[b]quinolizine-3-carboxamide;(6aR,11aR)-N-[(2,4-difluorophenyl)methyl]-6a-hydroxy-1-methoxy-11a-methyl-2,12-dioxo-6,7,8,9,10,11-hexahydrocyclohepta[b]quinolizine-3-carboxamide is COc1c2n(cc(C(=O)NCc3ccc(F)cc3F)c1=O)C[C@@]1(O)CCCCC[C@@]1(C)C2=O.COc1c2n(cc(C(=O)NCc3ccc(F)cc3F)c1=O)C[C@@]1(O)CCCCC[C@]1(C)C2=O.COc1c2n(cc(C(=O)NCc3ccc(F)cc3F)c1=O)C[C@]1(O)CCCCC[C@@]1(C)C2=O.COc1c2n(cc(C(=O)NCc3ccc(F)cc3F)c1=O)C[C@]1(O)CCCCC[C@]1(C)C2=O.C[C@@]12CCCCC[C@@]1(O)Cn1cc(C(=O)NCc3ccc(F)cc3F)c(=O)c(O)c1C2=O.C[C@@]12CCCCC[C@]1(O)Cn1cc(C(=O)NCc3ccc(F)cc3F)c(=O)c(O)c1C2=O.C[C@]12CCCCC[C@@]1(O)Cn1cc(C(=O)NCc3ccc(F)cc3F)c(=O)c(O)c1C2=O.C[C@]12CCCCC[C@]1(O)Cn1cc(C(=O)NCc3ccc(F)cc3F)c(=O)c(O)c1C2=O.
What is the InChIKey of (6aS,11aS)-N-[(2,4-difluorophenyl)methyl]-1,6a-dihydroxy-11a-methyl-2,12-dioxo-6,7,8,9,10,11-hexahydrocyclohepta[b]quinolizine-3-carboxamide;(6aR,11aS)-N-[(2,4-difluorophenyl)methyl]-1,6a-dihydroxy-11a-methyl-2,12-dioxo-6,7,8,9,10,11-hexahydrocyclohepta[b]quinolizine-3-carboxamide;(6aS,11aR)-N-[(2,4-difluorophenyl)methyl]-1,6a-dihydroxy-11a-methyl-2,12-dioxo-6,7,8,9,10,11-hexahydrocyclohepta[b]quinolizine-3-carboxamide;(6aR,11aR)-N-[(2,4-difluorophenyl)methyl]-1,6a-dihydroxy-11a-methyl-2,12-dioxo-6,7,8,9,10,11-hexahydrocyclohepta[b]quinolizine-3-carboxamide;(6aS,11aS)-N-[(2,4-difluorophenyl)methyl]-6a-hydroxy-1-methoxy-11a-methyl-2,12-dioxo-6,7,8,9,10,11-hexahydrocyclohepta[b]quinolizine-3-carboxamide;(6aR,11aS)-N-[(2,4-difluorophenyl)methyl]-6a-hydroxy-1-methoxy-11a-methyl-2,12-dioxo-6,7,8,9,10,11-hexahydrocyclohepta[b]quinolizine-3-carboxamide;(6aS,11aR)-N-[(2,4-difluorophenyl)methyl]-6a-hydroxy-1-methoxy-11a-methyl-2,12-dioxo-6,7,8,9,10,11-hexahydrocyclohepta[b]quinolizine-3-carboxamide;(6aR,11aR)-N-[(2,4-difluorophenyl)methyl]-6a-hydroxy-1-methoxy-11a-methyl-2,12-dioxo-6,7,8,9,10,11-hexahydrocyclohepta[b]quinolizine-3-carboxamide?
The InChIKey is GNCGIICIKNFUPF-DXHMBIDGSA-N. The full InChI is InChI=1S/4C24H26F2N2O5.4C23H24F2N2O5/c4*1-23-8-4-3-5-9-24(23,32)13-28-12-16(19(29)20(33-2)18(28)21(23)30)22(31)27-11-14-6-7-15(25)10-17(14)26;4*1-22-7-3-2-4-8-23(22,32)12-27-11-15(18(28)19(29)17(27)20(22)30)21(31)26-10-13-5-6-14(24)9-16(13)25/h4*6-7,10,12,32H,3-5,8-9,11,13H2,1-2H3,(H,27,31);4*5-6,9,11,29,32H,2-4,7-8,10,12H2,1H3,(H,26,31)/t2*23-,24+;2*23-,24-;2*22-,23+;2*22-,23-/m10101010/s1.
What are the key properties of (6aS,11aS)-N-[(2,4-difluorophenyl)methyl]-1,6a-dihydroxy-11a-methyl-2,12-dioxo-6,7,8,9,10,11-hexahydrocyclohepta[b]quinolizine-3-carboxamide;(6aR,11aS)-N-[(2,4-difluorophenyl)methyl]-1,6a-dihydroxy-11a-methyl-2,12-dioxo-6,7,8,9,10,11-hexahydrocyclohepta[b]quinolizine-3-carboxamide;(6aS,11aR)-N-[(2,4-difluorophenyl)methyl]-1,6a-dihydroxy-11a-methyl-2,12-dioxo-6,7,8,9,10,11-hexahydrocyclohepta[b]quinolizine-3-carboxamide;(6aR,11aR)-N-[(2,4-difluorophenyl)methyl]-1,6a-dihydroxy-11a-methyl-2,12-dioxo-6,7,8,9,10,11-hexahydrocyclohepta[b]quinolizine-3-carboxamide;(6aS,11aS)-N-[(2,4-difluorophenyl)methyl]-6a-hydroxy-1-methoxy-11a-methyl-2,12-dioxo-6,7,8,9,10,11-hexahydrocyclohepta[b]quinolizine-3-carboxamide;(6aR,11aS)-N-[(2,4-difluorophenyl)methyl]-6a-hydroxy-1-methoxy-11a-methyl-2,12-dioxo-6,7,8,9,10,11-hexahydrocyclohepta[b]quinolizine-3-carboxamide;(6aS,11aR)-N-[(2,4-difluorophenyl)methyl]-6a-hydroxy-1-methoxy-11a-methyl-2,12-dioxo-6,7,8,9,10,11-hexahydrocyclohepta[b]quinolizine-3-carboxamide;(6aR,11aR)-N-[(2,4-difluorophenyl)methyl]-6a-hydroxy-1-methoxy-11a-methyl-2,12-dioxo-6,7,8,9,10,11-hexahydrocyclohepta[b]quinolizine-3-carboxamide?
(6aS,11aS)-N-[(2,4-difluorophenyl)methyl]-1,6a-dihydroxy-11a-methyl-2,12-dioxo-6,7,8,9,10,11-hexahydrocyclohepta[b]quinolizine-3-carboxamide;(6aR,11aS)-N-[(2,4-difluorophenyl)methyl]-1,6a-dihydroxy-11a-methyl-2,12-dioxo-6,7,8,9,10,11-hexahydrocyclohepta[b]quinolizine-3-carboxamide;(6aS,11aR)-N-[(2,4-difluorophenyl)methyl]-1,6a-dihydroxy-11a-methyl-2,12-dioxo-6,7,8,9,10,11-hexahydrocyclohepta[b]quinolizine-3-carboxamide;(6aR,11aR)-N-[(2,4-difluorophenyl)methyl]-1,6a-dihydroxy-11a-methyl-2,12-dioxo-6,7,8,9,10,11-hexahydrocyclohepta[b]quinolizine-3-carboxamide;(6aS,11aS)-N-[(2,4-difluorophenyl)methyl]-6a-hydroxy-1-methoxy-11a-methyl-2,12-dioxo-6,7,8,9,10,11-hexahydrocyclohepta[b]quinolizine-3-carboxamide;(6aR,11aS)-N-[(2,4-difluorophenyl)methyl]-6a-hydroxy-1-methoxy-11a-methyl-2,12-dioxo-6,7,8,9,10,11-hexahydrocyclohepta[b]quinolizine-3-carboxamide;(6aS,11aR)-N-[(2,4-difluorophenyl)methyl]-6a-hydroxy-1-methoxy-11a-methyl-2,12-dioxo-6,7,8,9,10,11-hexahydrocyclohepta[b]quinolizine-3-carboxamide;(6aR,11aR)-N-[(2,4-difluorophenyl)methyl]-6a-hydroxy-1-methoxy-11a-methyl-2,12-dioxo-6,7,8,9,10,11-hexahydrocyclohepta[b]quinolizine-3-carboxamide has a molecular weight of 3627.71 g/mol, XLogP of 22.49, 28 rotatable bonds, 20 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for (6aS,11aS)-N-[(2,4-difluorophenyl)methyl]-1,6a-dihydroxy-11a-methyl-2,12-dioxo-6,7,8,9,10,11-hexahydrocyclohepta[b]quinolizine-3-carboxamide;(6aR,11aS)-N-[(2,4-difluorophenyl)methyl]-1,6a-dihydroxy-11a-methyl-2,12-dioxo-6,7,8,9,10,11-hexahydrocyclohepta[b]quinolizine-3-carboxamide;(6aS,11aR)-N-[(2,4-difluorophenyl)methyl]-1,6a-dihydroxy-11a-methyl-2,12-dioxo-6,7,8,9,10,11-hexahydrocyclohepta[b]quinolizine-3-carboxamide;(6aR,11aR)-N-[(2,4-difluorophenyl)methyl]-1,6a-dihydroxy-11a-methyl-2,12-dioxo-6,7,8,9,10,11-hexahydrocyclohepta[b]quinolizine-3-carboxamide;(6aS,11aS)-N-[(2,4-difluorophenyl)methyl]-6a-hydroxy-1-methoxy-11a-methyl-2,12-dioxo-6,7,8,9,10,11-hexahydrocyclohepta[b]quinolizine-3-carboxamide;(6aR,11aS)-N-[(2,4-difluorophenyl)methyl]-6a-hydroxy-1-methoxy-11a-methyl-2,12-dioxo-6,7,8,9,10,11-hexahydrocyclohepta[b]quinolizine-3-carboxamide;(6aS,11aR)-N-[(2,4-difluorophenyl)methyl]-6a-hydroxy-1-methoxy-11a-methyl-2,12-dioxo-6,7,8,9,10,11-hexahydrocyclohepta[b]quinolizine-3-carboxamide;(6aR,11aR)-N-[(2,4-difluorophenyl)methyl]-6a-hydroxy-1-methoxy-11a-methyl-2,12-dioxo-6,7,8,9,10,11-hexahydrocyclohepta[b]quinolizine-3-carboxamide is sourced from PubChem (CID 158306117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).