(7R,8R)-N-[(2,4-difluorophenyl)methyl]-1,7-dimethoxy-8-(methoxymethyl)-8-methyl-2,9-dioxo-6,7-dihydroquinolizine-3-carboxamide

C22H24F2N2O6 — CID 122471196

IUPAC(7R,8R)-N-[(2,4-difluorophenyl)methyl]-1,7-dimethoxy-8-(methoxymethyl)-8-methyl-2,9-dioxo-6,7-dihydroquinolizine-3-carboxamide
SMILESCOC[C@@]1(C)C(=O)c2c(OC)c(=O)c(C(=O)NCc3ccc(F)cc3F)cn2C[C@@H]1OC
InChIInChI=1S/C22H24F2N2O6/c1-22(11-30-2)16(31-3)10-26-9-14(18(27)19(32-4)17(26)20(22)28)21(29)25-8-12-5-6-13(23)7-15(12)24/h5-7,9,16H,8,10-11H2,1-4H3,(H,25,29)/t16-,22+/m0/s1
InChIKeyGWUHKUQFUOURNH-KSFYIVLOSA-N
MW450.44 g/mol
LogP1.93
Rot. Bonds7

About (7R,8R)-N-[(2,4-difluorophenyl)methyl]-1,7-dimethoxy-8-(methoxymethyl)-8-methyl-2,9-dioxo-6,7-dihydroquinolizine-3-carboxamide

(7R,8R)-N-[(2,4-difluorophenyl)methyl]-1,7-dimethoxy-8-(methoxymethyl)-8-methyl-2,9-dioxo-6,7-dihydroquinolizine-3-carboxamide (PubChem CID 122471196) has the molecular formula C22H24F2N2O6 and a molecular weight of 450.44 g/mol. Its IUPAC name is (7R,8R)-N-[(2,4-difluorophenyl)methyl]-1,7-dimethoxy-8-(methoxymethyl)-8-methyl-2,9-dioxo-6,7-dihydroquinolizine-3-carboxamide.

Molecular Properties

Compound Name(7R,8R)-N-[(2,4-difluorophenyl)methyl]-1,7-dimethoxy-8-(methoxymethyl)-8-methyl-2,9-dioxo-6,7-dihydroquinolizine-3-carboxamide
PubChem CID122471196
Molecular FormulaC22H24F2N2O6
Molecular Weight450.44 g/mol
Exact Mass450.16
IUPAC Name(7R,8R)-N-[(2,4-difluorophenyl)methyl]-1,7-dimethoxy-8-(methoxymethyl)-8-methyl-2,9-dioxo-6,7-dihydroquinolizine-3-carboxamide
SMILESCOC[C@@]1(C)C(=O)c2c(OC)c(=O)c(C(=O)NCc3ccc(F)cc3F)cn2C[C@@H]1OC
InChIInChI=1S/C22H24F2N2O6/c1-22(11-30-2)16(31-3)10-26-9-14(18(27)19(32-4)17(26)20(22)28)21(29)25-8-12-5-6-13(23)7-15(12)24/h5-7,9,16H,8,10-11H2,1-4H3,(H,25,29)/t16-,22+/m0/s1
InChIKeyGWUHKUQFUOURNH-KSFYIVLOSA-N
XLogP1.93
TPSA95.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.44
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (7R,8R)-N-[(2,4-difluorophenyl)methyl]-1,7-dimethoxy-8-(methoxymethyl)-8-methyl-2,9-dioxo-6,7-dihydroquinolizine-3-carboxamide 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

2-[[7-[(2,4-difluorophenyl)methylcarbamoyl]-3,9-dimethoxy-2-methyl-1,8-dioxo-3,4-dihydroquinolizin-2-yl]methoxy]ethylphosphonic acid
CID 134271328
(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
(3S)-N-[(2,4-difluorophenyl)methyl]-3,9-dimethoxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
CID 144787740
(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
(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
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
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
(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
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
(1R,11S,13S,16R)-N-[(2,4-difluorophenyl)methyl]-5-methoxy-14,16-dimethyl-3,6-dioxo-12-oxa-2,9-diazatetracyclo[11.2.1.02,11.04,9]hexadeca-4,7-diene-7-carboxamide
CID 129167006
N-[(2,4-difluorophenyl)methyl]-1-hydroxy-8-(2-methoxyethyl)-8-methyl-2,9-dioxo-6,7-dihydroquinolizine-3-carboxamide
CID 155273838

Frequently Asked Questions

What is the IUPAC name of (7R,8R)-N-[(2,4-difluorophenyl)methyl]-1,7-dimethoxy-8-(methoxymethyl)-8-methyl-2,9-dioxo-6,7-dihydroquinolizine-3-carboxamide?
The IUPAC name of (7R,8R)-N-[(2,4-difluorophenyl)methyl]-1,7-dimethoxy-8-(methoxymethyl)-8-methyl-2,9-dioxo-6,7-dihydroquinolizine-3-carboxamide (CID 122471196) is (7R,8R)-N-[(2,4-difluorophenyl)methyl]-1,7-dimethoxy-8-(methoxymethyl)-8-methyl-2,9-dioxo-6,7-dihydroquinolizine-3-carboxamide.
What is the SMILES notation for (7R,8R)-N-[(2,4-difluorophenyl)methyl]-1,7-dimethoxy-8-(methoxymethyl)-8-methyl-2,9-dioxo-6,7-dihydroquinolizine-3-carboxamide?
The canonical SMILES for (7R,8R)-N-[(2,4-difluorophenyl)methyl]-1,7-dimethoxy-8-(methoxymethyl)-8-methyl-2,9-dioxo-6,7-dihydroquinolizine-3-carboxamide is COC[C@@]1(C)C(=O)c2c(OC)c(=O)c(C(=O)NCc3ccc(F)cc3F)cn2C[C@@H]1OC.
What is the InChIKey of (7R,8R)-N-[(2,4-difluorophenyl)methyl]-1,7-dimethoxy-8-(methoxymethyl)-8-methyl-2,9-dioxo-6,7-dihydroquinolizine-3-carboxamide?
The InChIKey is GWUHKUQFUOURNH-KSFYIVLOSA-N. The full InChI is InChI=1S/C22H24F2N2O6/c1-22(11-30-2)16(31-3)10-26-9-14(18(27)19(32-4)17(26)20(22)28)21(29)25-8-12-5-6-13(23)7-15(12)24/h5-7,9,16H,8,10-11H2,1-4H3,(H,25,29)/t16-,22+/m0/s1.
What are the key properties of (7R,8R)-N-[(2,4-difluorophenyl)methyl]-1,7-dimethoxy-8-(methoxymethyl)-8-methyl-2,9-dioxo-6,7-dihydroquinolizine-3-carboxamide?
(7R,8R)-N-[(2,4-difluorophenyl)methyl]-1,7-dimethoxy-8-(methoxymethyl)-8-methyl-2,9-dioxo-6,7-dihydroquinolizine-3-carboxamide has a molecular weight of 450.44 g/mol, XLogP of 1.93, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (7R,8R)-N-[(2,4-difluorophenyl)methyl]-1,7-dimethoxy-8-(methoxymethyl)-8-methyl-2,9-dioxo-6,7-dihydroquinolizine-3-carboxamide is sourced from PubChem (CID 122471196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).