2-[[6-[(3-chloro-4-fluorophenyl)methyl]-4-hydroxy-3,5-dioxo-7,8-dihydro-2H-2,6-naphthyridine-1-carbonyl]amino]ethyl N-methylcarbamate

C20H20ClFN4O6 — CID 67516929

About 2-[[6-[(3-chloro-4-fluorophenyl)methyl]-4-hydroxy-3,5-dioxo-7,8-dihydro-2H-2,6-naphthyridine-1-carbonyl]amino]ethyl N-methylcarbamate

2-[[6-[(3-chloro-4-fluorophenyl)methyl]-4-hydroxy-3,5-dioxo-7,8-dihydro-2H-2,6-naphthyridine-1-carbonyl]amino]ethyl N-methylcarbamate (PubChem CID 67516929) has the molecular formula C20H20ClFN4O6 and a molecular weight of 466.85 g/mol. Its IUPAC name is 2-[[6-[(3-chloro-4-fluorophenyl)methyl]-4-hydroxy-3,5-dioxo-7,8-dihydro-2H-2,6-naphthyridine-1-carbonyl]amino]ethyl N-methylcarbamate.

Molecular Properties

• Compound Name: 2-[[6-[(3-chloro-4-fluorophenyl)methyl]-4-hydroxy-3,5-dioxo-7,8-dihydro-2H-2,6-naphthyridine-1-carbonyl]amino]ethyl N-methylcarbamate
• PubChem CID: 67516929
• Molecular Formula: C20H20ClFN4O6
• Molecular Weight: 466.85 g/mol
• Exact Mass: 466.11
• IUPAC Name: 2-[[6-[(3-chloro-4-fluorophenyl)methyl]-4-hydroxy-3,5-dioxo-7,8-dihydro-2H-2,6-naphthyridine-1-carbonyl]amino]ethyl N-methylcarbamate
• SMILES: CNC(=O)OCCNC(=O)c1[nH]c(=O)c(O)c2c1CCN(Cc1ccc(F)c(Cl)c1)C2=O
• InChI: InChI=1S/C20H20ClFN4O6/c1-23-20(31)32-7-5-24-17(28)15-11-4-6-26(9-10-2-3-13(22)12(21)8-10)19(30)14(11)16(27)18(29)25-15/h2-3,8,27H,4-7,9H2,1H3,(H,23,31)(H,24,28)(H,25,29)
• InChIKey: MABDOQKIUMWCJB-UHFFFAOYSA-N
• XLogP: 1.16
• TPSA: 140.83 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	466.85
LogP ≤ 5	1.16
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[[6-[(3-chloro-4-fluorophenyl)methyl]-4-hydroxy-3,5-dioxo-7,8-dihydro-2H-2,6-naphthyridine-1-carbonyl]amino]ethyl N-methylcarbamate?

The IUPAC name of 2-[[6-[(3-chloro-4-fluorophenyl)methyl]-4-hydroxy-3,5-dioxo-7,8-dihydro-2H-2,6-naphthyridine-1-carbonyl]amino]ethyl N-methylcarbamate (CID 67516929) is 2-[[6-[(3-chloro-4-fluorophenyl)methyl]-4-hydroxy-3,5-dioxo-7,8-dihydro-2H-2,6-naphthyridine-1-carbonyl]amino]ethyl N-methylcarbamate.

What is the SMILES notation for 2-[[6-[(3-chloro-4-fluorophenyl)methyl]-4-hydroxy-3,5-dioxo-7,8-dihydro-2H-2,6-naphthyridine-1-carbonyl]amino]ethyl N-methylcarbamate?

The canonical SMILES for 2-[[6-[(3-chloro-4-fluorophenyl)methyl]-4-hydroxy-3,5-dioxo-7,8-dihydro-2H-2,6-naphthyridine-1-carbonyl]amino]ethyl N-methylcarbamate is CNC(=O)OCCNC(=O)c1[nH]c(=O)c(O)c2c1CCN(Cc1ccc(F)c(Cl)c1)C2=O.

What is the InChIKey of 2-[[6-[(3-chloro-4-fluorophenyl)methyl]-4-hydroxy-3,5-dioxo-7,8-dihydro-2H-2,6-naphthyridine-1-carbonyl]amino]ethyl N-methylcarbamate?

The InChIKey is MABDOQKIUMWCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClFN4O6/c1-23-20(31)32-7-5-24-17(28)15-11-4-6-26(9-10-2-3-13(22)12(21)8-10)19(30)14(11)16(27)18(29)25-15/h2-3,8,27H,4-7,9H2,1H3,(H,23,31)(H,24,28)(H,25,29).

What are the key properties of 2-[[6-[(3-chloro-4-fluorophenyl)methyl]-4-hydroxy-3,5-dioxo-7,8-dihydro-2H-2,6-naphthyridine-1-carbonyl]amino]ethyl N-methylcarbamate?

2-[[6-[(3-chloro-4-fluorophenyl)methyl]-4-hydroxy-3,5-dioxo-7,8-dihydro-2H-2,6-naphthyridine-1-carbonyl]amino]ethyl N-methylcarbamate has a molecular weight of 466.85 g/mol, XLogP of 1.16, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[6-[(3-chloro-4-fluorophenyl)methyl]-4-hydroxy-3,5-dioxo-7,8-dihydro-2H-2,6-naphthyridine-1-carbonyl]amino]ethyl N-methylcarbamate is sourced from PubChem (CID 67516929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).