4-amino-N-[(6-ethoxypyridazin-3-yl)methyl]-N-ethyl-7-fluoro-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide

C21H22FN5O3 — CID 163382984

About 4-amino-N-[(6-ethoxypyridazin-3-yl)methyl]-N-ethyl-7-fluoro-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide

4-amino-N-[(6-ethoxypyridazin-3-yl)methyl]-N-ethyl-7-fluoro-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide (PubChem CID 163382984) has the molecular formula C21H22FN5O3 and a molecular weight of 411.44 g/mol. Its IUPAC name is 4-amino-N-[(6-ethoxypyridazin-3-yl)methyl]-N-ethyl-7-fluoro-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide.

Molecular Properties

• Compound Name: 4-amino-N-[(6-ethoxypyridazin-3-yl)methyl]-N-ethyl-7-fluoro-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
• PubChem CID: 163382984
• Molecular Formula: C21H22FN5O3
• Molecular Weight: 411.44 g/mol
• Exact Mass: 411.17
• IUPAC Name: 4-amino-N-[(6-ethoxypyridazin-3-yl)methyl]-N-ethyl-7-fluoro-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
• SMILES: CCOc1ccc(CN(CC)C(=O)c2cc3c4c(c(N)nc3cc2F)COC4)nn1
• InChI: InChI=1S/C21H22FN5O3/c1-3-27(9-12-5-6-19(26-25-12)30-4-2)21(28)14-7-13-15-10-29-11-16(15)20(23)24-18(13)8-17(14)22/h5-8H,3-4,9-11H2,1-2H3,(H2,23,24)
• InChIKey: NIQFUJFMVNGMIT-UHFFFAOYSA-N
• XLogP: 2.84
• TPSA: 103.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	411.44
LogP ≤ 5	2.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(6-ethoxypyridazin-3-yl)methyl]-N-ethyl-7-fluoro-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide?

The IUPAC name of 4-amino-N-[(6-ethoxypyridazin-3-yl)methyl]-N-ethyl-7-fluoro-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide (CID 163382984) is 4-amino-N-[(6-ethoxypyridazin-3-yl)methyl]-N-ethyl-7-fluoro-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide.

What is the SMILES notation for 4-amino-N-[(6-ethoxypyridazin-3-yl)methyl]-N-ethyl-7-fluoro-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide?

The canonical SMILES for 4-amino-N-[(6-ethoxypyridazin-3-yl)methyl]-N-ethyl-7-fluoro-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide is CCOc1ccc(CN(CC)C(=O)c2cc3c4c(c(N)nc3cc2F)COC4)nn1.

What is the InChIKey of 4-amino-N-[(6-ethoxypyridazin-3-yl)methyl]-N-ethyl-7-fluoro-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide?

The InChIKey is NIQFUJFMVNGMIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN5O3/c1-3-27(9-12-5-6-19(26-25-12)30-4-2)21(28)14-7-13-15-10-29-11-16(15)20(23)24-18(13)8-17(14)22/h5-8H,3-4,9-11H2,1-2H3,(H2,23,24).

What are the key properties of 4-amino-N-[(6-ethoxypyridazin-3-yl)methyl]-N-ethyl-7-fluoro-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide?

4-amino-N-[(6-ethoxypyridazin-3-yl)methyl]-N-ethyl-7-fluoro-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide has a molecular weight of 411.44 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-N-[(6-ethoxypyridazin-3-yl)methyl]-N-ethyl-7-fluoro-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide is sourced from PubChem (CID 163382984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).