(7R,8S)-N-[(2,4-difluorophenyl)methyl]-1-hydroxy-7-methoxy-8-(2-methoxyethyl)-8-methyl-2,9-dioxo-6,7-dihydroquinolizine-3-carboxamide

C22H24F2N2O6 — CID 122471206

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

(7R,8S)-N-[(2,4-difluorophenyl)methyl]-1-hydroxy-7-methoxy-8-(2-methoxyethyl)-8-methyl-2,9-dioxo-6,7-dihydroquinolizine-3-carboxamide (PubChem CID 122471206) has the molecular formula C22H24F2N2O6 and a molecular weight of 450.44 g/mol. Its IUPAC name is (7R,8S)-N-[(2,4-difluorophenyl)methyl]-1-hydroxy-7-methoxy-8-(2-methoxyethyl)-8-methyl-2,9-dioxo-6,7-dihydroquinolizine-3-carboxamide.

Molecular Properties

• Compound Name: (7R,8S)-N-[(2,4-difluorophenyl)methyl]-1-hydroxy-7-methoxy-8-(2-methoxyethyl)-8-methyl-2,9-dioxo-6,7-dihydroquinolizine-3-carboxamide
• PubChem CID: 122471206
• Molecular Formula: C22H24F2N2O6
• Molecular Weight: 450.44 g/mol
• Exact Mass: 450.16
• IUPAC Name: (7R,8S)-N-[(2,4-difluorophenyl)methyl]-1-hydroxy-7-methoxy-8-(2-methoxyethyl)-8-methyl-2,9-dioxo-6,7-dihydroquinolizine-3-carboxamide
• SMILES: COCC[C@]1(C)C(=O)c2c(O)c(=O)c(C(=O)NCc3ccc(F)cc3F)cn2C[C@@H]1OC
• InChI: InChI=1S/C22H24F2N2O6/c1-22(6-7-31-2)16(32-3)11-26-10-14(18(27)19(28)17(26)20(22)29)21(30)25-9-12-4-5-13(23)8-15(12)24/h4-5,8,10,16,28H,6-7,9,11H2,1-3H3,(H,25,30)/t16-,22-/m0/s1
• InChIKey: FIEAQIBOWLTSLU-AOMKIAJQSA-N
• XLogP: 2.02
• TPSA: 106.86 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	450.44
LogP ≤ 5	2.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (7R,8S)-N-[(2,4-difluorophenyl)methyl]-1-hydroxy-7-methoxy-8-(2-methoxyethyl)-8-methyl-2,9-dioxo-6,7-dihydroquinolizine-3-carboxamide?

The IUPAC name of (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) is (7R,8S)-N-[(2,4-difluorophenyl)methyl]-1-hydroxy-7-methoxy-8-(2-methoxyethyl)-8-methyl-2,9-dioxo-6,7-dihydroquinolizine-3-carboxamide.

What is the SMILES notation for (7R,8S)-N-[(2,4-difluorophenyl)methyl]-1-hydroxy-7-methoxy-8-(2-methoxyethyl)-8-methyl-2,9-dioxo-6,7-dihydroquinolizine-3-carboxamide?

The canonical SMILES for (7R,8S)-N-[(2,4-difluorophenyl)methyl]-1-hydroxy-7-methoxy-8-(2-methoxyethyl)-8-methyl-2,9-dioxo-6,7-dihydroquinolizine-3-carboxamide is COCC[C@]1(C)C(=O)c2c(O)c(=O)c(C(=O)NCc3ccc(F)cc3F)cn2C[C@@H]1OC.

What is the InChIKey of (7R,8S)-N-[(2,4-difluorophenyl)methyl]-1-hydroxy-7-methoxy-8-(2-methoxyethyl)-8-methyl-2,9-dioxo-6,7-dihydroquinolizine-3-carboxamide?

The InChIKey is FIEAQIBOWLTSLU-AOMKIAJQSA-N. The full InChI is InChI=1S/C22H24F2N2O6/c1-22(6-7-31-2)16(32-3)11-26-10-14(18(27)19(28)17(26)20(22)29)21(30)25-9-12-4-5-13(23)8-15(12)24/h4-5,8,10,16,28H,6-7,9,11H2,1-3H3,(H,25,30)/t16-,22-/m0/s1.

What are the key properties of (7R,8S)-N-[(2,4-difluorophenyl)methyl]-1-hydroxy-7-methoxy-8-(2-methoxyethyl)-8-methyl-2,9-dioxo-6,7-dihydroquinolizine-3-carboxamide?

(7R,8S)-N-[(2,4-difluorophenyl)methyl]-1-hydroxy-7-methoxy-8-(2-methoxyethyl)-8-methyl-2,9-dioxo-6,7-dihydroquinolizine-3-carboxamide has a molecular weight of 450.44 g/mol, XLogP of 2.02, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (7R,8S)-N-[(2,4-difluorophenyl)methyl]-1-hydroxy-7-methoxy-8-(2-methoxyethyl)-8-methyl-2,9-dioxo-6,7-dihydroquinolizine-3-carboxamide is sourced from PubChem (CID 122471206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).