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

C26H33F2N3O5 — CID 145161091

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

7-[butyl(methyl)amino]-N-[(2,4-difluorophenyl)methyl]-1-hydroxy-8-(2-methoxyethyl)-8-methyl-2,9-dioxo-6,7-dihydroquinolizine-3-carboxamide (PubChem CID 145161091) has the molecular formula C26H33F2N3O5 and a molecular weight of 505.56 g/mol. Its IUPAC name is 7-[butyl(methyl)amino]-N-[(2,4-difluorophenyl)methyl]-1-hydroxy-8-(2-methoxyethyl)-8-methyl-2,9-dioxo-6,7-dihydroquinolizine-3-carboxamide.

Molecular Properties

• Compound Name: 7-[butyl(methyl)amino]-N-[(2,4-difluorophenyl)methyl]-1-hydroxy-8-(2-methoxyethyl)-8-methyl-2,9-dioxo-6,7-dihydroquinolizine-3-carboxamide
• PubChem CID: 145161091
• Molecular Formula: C26H33F2N3O5
• Molecular Weight: 505.56 g/mol
• Exact Mass: 505.24
• IUPAC Name: 7-[butyl(methyl)amino]-N-[(2,4-difluorophenyl)methyl]-1-hydroxy-8-(2-methoxyethyl)-8-methyl-2,9-dioxo-6,7-dihydroquinolizine-3-carboxamide
• SMILES: CCCCN(C)C1Cn2cc(C(=O)NCc3ccc(F)cc3F)c(=O)c(O)c2C(=O)C1(C)CCOC
• InChI: InChI=1S/C26H33F2N3O5/c1-5-6-10-30(3)20-15-31-14-18(25(35)29-13-16-7-8-17(27)12-19(16)28)22(32)23(33)21(31)24(34)26(20,2)9-11-36-4/h7-8,12,14,20,33H,5-6,9-11,13,15H2,1-4H3,(H,29,35)
• InChIKey: VQMKJDSBJWAUHN-UHFFFAOYSA-N
• XLogP: 3.10
• TPSA: 100.87 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	505.56
LogP ≤ 5	3.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

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

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

The canonical SMILES for 7-[butyl(methyl)amino]-N-[(2,4-difluorophenyl)methyl]-1-hydroxy-8-(2-methoxyethyl)-8-methyl-2,9-dioxo-6,7-dihydroquinolizine-3-carboxamide is CCCCN(C)C1Cn2cc(C(=O)NCc3ccc(F)cc3F)c(=O)c(O)c2C(=O)C1(C)CCOC.

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

The InChIKey is VQMKJDSBJWAUHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33F2N3O5/c1-5-6-10-30(3)20-15-31-14-18(25(35)29-13-16-7-8-17(27)12-19(16)28)22(32)23(33)21(31)24(34)26(20,2)9-11-36-4/h7-8,12,14,20,33H,5-6,9-11,13,15H2,1-4H3,(H,29,35).

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

7-[butyl(methyl)amino]-N-[(2,4-difluorophenyl)methyl]-1-hydroxy-8-(2-methoxyethyl)-8-methyl-2,9-dioxo-6,7-dihydroquinolizine-3-carboxamide has a molecular weight of 505.56 g/mol, XLogP of 3.10, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[butyl(methyl)amino]-N-[(2,4-difluorophenyl)methyl]-1-hydroxy-8-(2-methoxyethyl)-8-methyl-2,9-dioxo-6,7-dihydroquinolizine-3-carboxamide is sourced from PubChem (CID 145161091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).