(7R,8R)-N-[(2-fluorophenyl)methyl]-1-hydroxy-7-methoxy-8-(3-methoxypropyl)-8-methyl-2,9-dioxo-6,7-dihydroquinolizine-3-carboxamide;(7R,8S)-1-hydroxy-7-methoxy-8-(3-methoxypropyl)-8-methyl-2,9-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-6,7-dihydroquinolizine-3-carboxamide;(7R,8R)-1-hydroxy-7-methoxy-8-(3-methoxypropyl)-8-methyl-2,9-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-6,7-dihydroquinolizine-3-carboxamide

C69H77F7N6O18 — CID 161042938

IUPAC(7R,8R)-N-[(2-fluorophenyl)methyl]-1-hydroxy-7-methoxy-8-(3-methoxypropyl)-8-methyl-2,9-dioxo-6,7-dihydroquinolizine-3-carboxamide;(7R,8S)-1-hydroxy-7-methoxy-8-(3-methoxypropyl)-8-methyl-2,9-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-6,7-dihydroquinolizine-3-carboxamide;(7R,8R)-1-hydroxy-7-methoxy-8-(3-methoxypropyl)-8-methyl-2,9-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-6,7-dihydroquinolizine-3-carboxamide
SMILESCOCCC[C@@]1(C)C(=O)c2c(O)c(=O)c(C(=O)NCc3c(F)cc(F)cc3F)cn2C[C@@H]1OC.COCCC[C@@]1(C)C(=O)c2c(O)c(=O)c(C(=O)NCc3ccccc3F)cn2C[C@@H]1OC.COCCC[C@]1(C)C(=O)c2c(O)c(=O)c(C(=O)NCc3c(F)cc(F)cc3F)cn2C[C@@H]1OC
InChIInChI=1S/2C23H25F3N2O6.C23H27FN2O6/c2*1-23(5-4-6-33-2)17(34-3)11-28-10-14(19(29)20(30)18(28)21(23)31)22(32)27-9-13-15(25)7-12(24)8-16(13)26;1-23(9-6-10-31-2)17(32-3)13-26-12-15(19(27)20(28)18(26)21(23)29)22(30)25-11-14-7-4-5-8-16(14)24/h2*7-8,10,17,30H,4-6,9,11H2,1-3H3,(H,27,32);4-5,7-8,12,17,28H,6,9-11,13H2,1-3H3,(H,25,30)/t17-,23+;17-,23-;17-,23+/m000/s1
InChIKeyUBCQHBZXIZDTCB-VBJREQSISA-N
MW1411.38 g/mol
LogP7.36
Rot. Bonds24

About (7R,8R)-N-[(2-fluorophenyl)methyl]-1-hydroxy-7-methoxy-8-(3-methoxypropyl)-8-methyl-2,9-dioxo-6,7-dihydroquinolizine-3-carboxamide;(7R,8S)-1-hydroxy-7-methoxy-8-(3-methoxypropyl)-8-methyl-2,9-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-6,7-dihydroquinolizine-3-carboxamide;(7R,8R)-1-hydroxy-7-methoxy-8-(3-methoxypropyl)-8-methyl-2,9-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-6,7-dihydroquinolizine-3-carboxamide

(7R,8R)-N-[(2-fluorophenyl)methyl]-1-hydroxy-7-methoxy-8-(3-methoxypropyl)-8-methyl-2,9-dioxo-6,7-dihydroquinolizine-3-carboxamide;(7R,8S)-1-hydroxy-7-methoxy-8-(3-methoxypropyl)-8-methyl-2,9-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-6,7-dihydroquinolizine-3-carboxamide;(7R,8R)-1-hydroxy-7-methoxy-8-(3-methoxypropyl)-8-methyl-2,9-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-6,7-dihydroquinolizine-3-carboxamide (PubChem CID 161042938) has the molecular formula C69H77F7N6O18 and a molecular weight of 1411.38 g/mol. Its IUPAC name is (7R,8R)-N-[(2-fluorophenyl)methyl]-1-hydroxy-7-methoxy-8-(3-methoxypropyl)-8-methyl-2,9-dioxo-6,7-dihydroquinolizine-3-carboxamide;(7R,8S)-1-hydroxy-7-methoxy-8-(3-methoxypropyl)-8-methyl-2,9-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-6,7-dihydroquinolizine-3-carboxamide;(7R,8R)-1-hydroxy-7-methoxy-8-(3-methoxypropyl)-8-methyl-2,9-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-6,7-dihydroquinolizine-3-carboxamide.

Molecular Properties

Compound Name(7R,8R)-N-[(2-fluorophenyl)methyl]-1-hydroxy-7-methoxy-8-(3-methoxypropyl)-8-methyl-2,9-dioxo-6,7-dihydroquinolizine-3-carboxamide;(7R,8S)-1-hydroxy-7-methoxy-8-(3-methoxypropyl)-8-methyl-2,9-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-6,7-dihydroquinolizine-3-carboxamide;(7R,8R)-1-hydroxy-7-methoxy-8-(3-methoxypropyl)-8-methyl-2,9-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-6,7-dihydroquinolizine-3-carboxamide
PubChem CID161042938
Molecular FormulaC69H77F7N6O18
Molecular Weight1411.38 g/mol
Exact Mass1410.52
IUPAC Name(7R,8R)-N-[(2-fluorophenyl)methyl]-1-hydroxy-7-methoxy-8-(3-methoxypropyl)-8-methyl-2,9-dioxo-6,7-dihydroquinolizine-3-carboxamide;(7R,8S)-1-hydroxy-7-methoxy-8-(3-methoxypropyl)-8-methyl-2,9-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-6,7-dihydroquinolizine-3-carboxamide;(7R,8R)-1-hydroxy-7-methoxy-8-(3-methoxypropyl)-8-methyl-2,9-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-6,7-dihydroquinolizine-3-carboxamide
SMILESCOCCC[C@@]1(C)C(=O)c2c(O)c(=O)c(C(=O)NCc3c(F)cc(F)cc3F)cn2C[C@@H]1OC.COCCC[C@@]1(C)C(=O)c2c(O)c(=O)c(C(=O)NCc3ccccc3F)cn2C[C@@H]1OC.COCCC[C@]1(C)C(=O)c2c(O)c(=O)c(C(=O)NCc3c(F)cc(F)cc3F)cn2C[C@@H]1OC
InChIInChI=1S/2C23H25F3N2O6.C23H27FN2O6/c2*1-23(5-4-6-33-2)17(34-3)11-28-10-14(19(29)20(30)18(28)21(23)31)22(32)27-9-13-15(25)7-12(24)8-16(13)26;1-23(9-6-10-31-2)17(32-3)13-26-12-15(19(27)20(28)18(26)21(23)29)22(30)25-11-14-7-4-5-8-16(14)24/h2*7-8,10,17,30H,4-6,9,11H2,1-3H3,(H,27,32);4-5,7-8,12,17,28H,6,9-11,13H2,1-3H3,(H,25,30)/t17-,23+;17-,23-;17-,23+/m000/s1
InChIKeyUBCQHBZXIZDTCB-VBJREQSISA-N
XLogP7.36
TPSA320.58 Ų
H-Bond Donors6
H-Bond Acceptors21
Rotatable Bonds24
Heavy Atoms100
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001411.38
LogP ≤ 57.36
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (7R,8R)-N-[(2-fluorophenyl)methyl]-1-hydroxy-7-methoxy-8-(3-methoxypropyl)-8-methyl-2,9-dioxo-6,7-dihydroquinolizine-3-carboxamide;(7R,8S)-1-hydroxy-7-methoxy-8-(3-methoxypropyl)-8-methyl-2,9-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-6,7-dihydroquinolizine-3-carboxamide;(7R,8R)-1-hydroxy-7-methoxy-8-(3-methoxypropyl)-8-methyl-2,9-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-6,7-dihydroquinolizine-3-carboxamide with MolForge

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Related Compounds

(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
8-butyl-N-[(2,4-difluorophenyl)methyl]-1-hydroxy-8-methyl-7-(2-nitrosoethoxy)-2,9-dioxo-6,7-dihydroquinolizine-3-carboxamide
CID 145161135
N-[(2,4-difluorophenyl)methyl]-7-[3-[ethoxy(methyl)phosphoryl]propoxy]-1-hydroxy-8-(2-methoxyethyl)-8-methyl-2,9-dioxo-6,7-dihydroquinolizine-3-carboxamide
CID 134271357
7-[butyl(methyl)amino]-N-[(2,4-difluorophenyl)methyl]-1-hydroxy-8-(2-methoxyethyl)-8-methyl-2,9-dioxo-6,7-dihydroquinolizine-3-carboxamide
CID 145161091
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
(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
(12aS)-7-hydroxy-5a-methyl-6,8-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-2,3,4,5,12,12a-hexahydrooxepino[3,2-b]quinolizine-9-carboxamide
CID 144818426
2-[[7-[(2,4-difluorophenyl)methylcarbamoyl]-3,9-dimethoxy-2-methyl-1,8-dioxo-3,4-dihydroquinolizin-2-yl]methoxy]ethylphosphonic acid
CID 134271328
ethane;4-hydroxy-2,5-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-1,8-diazatricyclo[8.4.0.03,8]tetradeca-3,6-diene-6-carboxamide
CID 144774314
(1S,10S)-11,11-difluoro-6-hydroxy-10-methyl-5,8-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-4-carboxamide
CID 155145694
3-N-cyclooctyl-5-N-[(2-fluorophenyl)methyl]-1-(2-methoxyethyl)-4-oxopyridine-3,5-dicarboxamide
CID 42482348

Frequently Asked Questions

What is the IUPAC name of (7R,8R)-N-[(2-fluorophenyl)methyl]-1-hydroxy-7-methoxy-8-(3-methoxypropyl)-8-methyl-2,9-dioxo-6,7-dihydroquinolizine-3-carboxamide;(7R,8S)-1-hydroxy-7-methoxy-8-(3-methoxypropyl)-8-methyl-2,9-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-6,7-dihydroquinolizine-3-carboxamide;(7R,8R)-1-hydroxy-7-methoxy-8-(3-methoxypropyl)-8-methyl-2,9-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-6,7-dihydroquinolizine-3-carboxamide?
The IUPAC name of (7R,8R)-N-[(2-fluorophenyl)methyl]-1-hydroxy-7-methoxy-8-(3-methoxypropyl)-8-methyl-2,9-dioxo-6,7-dihydroquinolizine-3-carboxamide;(7R,8S)-1-hydroxy-7-methoxy-8-(3-methoxypropyl)-8-methyl-2,9-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-6,7-dihydroquinolizine-3-carboxamide;(7R,8R)-1-hydroxy-7-methoxy-8-(3-methoxypropyl)-8-methyl-2,9-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-6,7-dihydroquinolizine-3-carboxamide (CID 161042938) is (7R,8R)-N-[(2-fluorophenyl)methyl]-1-hydroxy-7-methoxy-8-(3-methoxypropyl)-8-methyl-2,9-dioxo-6,7-dihydroquinolizine-3-carboxamide;(7R,8S)-1-hydroxy-7-methoxy-8-(3-methoxypropyl)-8-methyl-2,9-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-6,7-dihydroquinolizine-3-carboxamide;(7R,8R)-1-hydroxy-7-methoxy-8-(3-methoxypropyl)-8-methyl-2,9-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-6,7-dihydroquinolizine-3-carboxamide.
What is the SMILES notation for (7R,8R)-N-[(2-fluorophenyl)methyl]-1-hydroxy-7-methoxy-8-(3-methoxypropyl)-8-methyl-2,9-dioxo-6,7-dihydroquinolizine-3-carboxamide;(7R,8S)-1-hydroxy-7-methoxy-8-(3-methoxypropyl)-8-methyl-2,9-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-6,7-dihydroquinolizine-3-carboxamide;(7R,8R)-1-hydroxy-7-methoxy-8-(3-methoxypropyl)-8-methyl-2,9-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-6,7-dihydroquinolizine-3-carboxamide?
The canonical SMILES for (7R,8R)-N-[(2-fluorophenyl)methyl]-1-hydroxy-7-methoxy-8-(3-methoxypropyl)-8-methyl-2,9-dioxo-6,7-dihydroquinolizine-3-carboxamide;(7R,8S)-1-hydroxy-7-methoxy-8-(3-methoxypropyl)-8-methyl-2,9-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-6,7-dihydroquinolizine-3-carboxamide;(7R,8R)-1-hydroxy-7-methoxy-8-(3-methoxypropyl)-8-methyl-2,9-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-6,7-dihydroquinolizine-3-carboxamide is COCCC[C@@]1(C)C(=O)c2c(O)c(=O)c(C(=O)NCc3c(F)cc(F)cc3F)cn2C[C@@H]1OC.COCCC[C@@]1(C)C(=O)c2c(O)c(=O)c(C(=O)NCc3ccccc3F)cn2C[C@@H]1OC.COCCC[C@]1(C)C(=O)c2c(O)c(=O)c(C(=O)NCc3c(F)cc(F)cc3F)cn2C[C@@H]1OC.
What is the InChIKey of (7R,8R)-N-[(2-fluorophenyl)methyl]-1-hydroxy-7-methoxy-8-(3-methoxypropyl)-8-methyl-2,9-dioxo-6,7-dihydroquinolizine-3-carboxamide;(7R,8S)-1-hydroxy-7-methoxy-8-(3-methoxypropyl)-8-methyl-2,9-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-6,7-dihydroquinolizine-3-carboxamide;(7R,8R)-1-hydroxy-7-methoxy-8-(3-methoxypropyl)-8-methyl-2,9-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-6,7-dihydroquinolizine-3-carboxamide?
The InChIKey is UBCQHBZXIZDTCB-VBJREQSISA-N. The full InChI is InChI=1S/2C23H25F3N2O6.C23H27FN2O6/c2*1-23(5-4-6-33-2)17(34-3)11-28-10-14(19(29)20(30)18(28)21(23)31)22(32)27-9-13-15(25)7-12(24)8-16(13)26;1-23(9-6-10-31-2)17(32-3)13-26-12-15(19(27)20(28)18(26)21(23)29)22(30)25-11-14-7-4-5-8-16(14)24/h2*7-8,10,17,30H,4-6,9,11H2,1-3H3,(H,27,32);4-5,7-8,12,17,28H,6,9-11,13H2,1-3H3,(H,25,30)/t17-,23+;17-,23-;17-,23+/m000/s1.
What are the key properties of (7R,8R)-N-[(2-fluorophenyl)methyl]-1-hydroxy-7-methoxy-8-(3-methoxypropyl)-8-methyl-2,9-dioxo-6,7-dihydroquinolizine-3-carboxamide;(7R,8S)-1-hydroxy-7-methoxy-8-(3-methoxypropyl)-8-methyl-2,9-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-6,7-dihydroquinolizine-3-carboxamide;(7R,8R)-1-hydroxy-7-methoxy-8-(3-methoxypropyl)-8-methyl-2,9-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-6,7-dihydroquinolizine-3-carboxamide?
(7R,8R)-N-[(2-fluorophenyl)methyl]-1-hydroxy-7-methoxy-8-(3-methoxypropyl)-8-methyl-2,9-dioxo-6,7-dihydroquinolizine-3-carboxamide;(7R,8S)-1-hydroxy-7-methoxy-8-(3-methoxypropyl)-8-methyl-2,9-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-6,7-dihydroquinolizine-3-carboxamide;(7R,8R)-1-hydroxy-7-methoxy-8-(3-methoxypropyl)-8-methyl-2,9-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-6,7-dihydroquinolizine-3-carboxamide has a molecular weight of 1411.38 g/mol, XLogP of 7.36, 24 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for (7R,8R)-N-[(2-fluorophenyl)methyl]-1-hydroxy-7-methoxy-8-(3-methoxypropyl)-8-methyl-2,9-dioxo-6,7-dihydroquinolizine-3-carboxamide;(7R,8S)-1-hydroxy-7-methoxy-8-(3-methoxypropyl)-8-methyl-2,9-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-6,7-dihydroquinolizine-3-carboxamide;(7R,8R)-1-hydroxy-7-methoxy-8-(3-methoxypropyl)-8-methyl-2,9-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-6,7-dihydroquinolizine-3-carboxamide is sourced from PubChem (CID 161042938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).