N-[(5S,8S)-5,8-diethyl-3-(2-fluorophenyl)-6,7-dihydro-5H-cinnolin-8-yl]-2-hydroxyacetamide

C20H24FN3O2 — CID 144841664

About N-[(5S,8S)-5,8-diethyl-3-(2-fluorophenyl)-6,7-dihydro-5H-cinnolin-8-yl]-2-hydroxyacetamide

N-[(5S,8S)-5,8-diethyl-3-(2-fluorophenyl)-6,7-dihydro-5H-cinnolin-8-yl]-2-hydroxyacetamide (PubChem CID 144841664) has the molecular formula C20H24FN3O2 and a molecular weight of 357.43 g/mol. Its IUPAC name is N-[(5S,8S)-5,8-diethyl-3-(2-fluorophenyl)-6,7-dihydro-5H-cinnolin-8-yl]-2-hydroxyacetamide.

Molecular Properties

• Compound Name: N-[(5S,8S)-5,8-diethyl-3-(2-fluorophenyl)-6,7-dihydro-5H-cinnolin-8-yl]-2-hydroxyacetamide
• PubChem CID: 144841664
• Molecular Formula: C20H24FN3O2
• Molecular Weight: 357.43 g/mol
• Exact Mass: 357.19
• IUPAC Name: N-[(5S,8S)-5,8-diethyl-3-(2-fluorophenyl)-6,7-dihydro-5H-cinnolin-8-yl]-2-hydroxyacetamide
• SMILES: CC[C@H]1CC[C@](CC)(NC(=O)CO)c2nnc(-c3ccccc3F)cc21
• InChI: InChI=1S/C20H24FN3O2/c1-3-13-9-10-20(4-2,22-18(26)12-25)19-15(13)11-17(23-24-19)14-7-5-6-8-16(14)21/h5-8,11,13,25H,3-4,9-10,12H2,1-2H3,(H,22,26)/t13-,20-/m0/s1
• InChIKey: YYBQGDHEGJPPRD-RBZFPXEDSA-N
• XLogP: 3.28
• TPSA: 75.11 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	357.43
LogP ≤ 5	3.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(5S,8S)-5,8-diethyl-3-(2-fluorophenyl)-6,7-dihydro-5H-cinnolin-8-yl]-2-hydroxyacetamide?

The IUPAC name of N-[(5S,8S)-5,8-diethyl-3-(2-fluorophenyl)-6,7-dihydro-5H-cinnolin-8-yl]-2-hydroxyacetamide (CID 144841664) is N-[(5S,8S)-5,8-diethyl-3-(2-fluorophenyl)-6,7-dihydro-5H-cinnolin-8-yl]-2-hydroxyacetamide.

What is the SMILES notation for N-[(5S,8S)-5,8-diethyl-3-(2-fluorophenyl)-6,7-dihydro-5H-cinnolin-8-yl]-2-hydroxyacetamide?

The canonical SMILES for N-[(5S,8S)-5,8-diethyl-3-(2-fluorophenyl)-6,7-dihydro-5H-cinnolin-8-yl]-2-hydroxyacetamide is CC[C@H]1CC[C@](CC)(NC(=O)CO)c2nnc(-c3ccccc3F)cc21.

What is the InChIKey of N-[(5S,8S)-5,8-diethyl-3-(2-fluorophenyl)-6,7-dihydro-5H-cinnolin-8-yl]-2-hydroxyacetamide?

The InChIKey is YYBQGDHEGJPPRD-RBZFPXEDSA-N. The full InChI is InChI=1S/C20H24FN3O2/c1-3-13-9-10-20(4-2,22-18(26)12-25)19-15(13)11-17(23-24-19)14-7-5-6-8-16(14)21/h5-8,11,13,25H,3-4,9-10,12H2,1-2H3,(H,22,26)/t13-,20-/m0/s1.

What are the key properties of N-[(5S,8S)-5,8-diethyl-3-(2-fluorophenyl)-6,7-dihydro-5H-cinnolin-8-yl]-2-hydroxyacetamide?

N-[(5S,8S)-5,8-diethyl-3-(2-fluorophenyl)-6,7-dihydro-5H-cinnolin-8-yl]-2-hydroxyacetamide has a molecular weight of 357.43 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(5S,8S)-5,8-diethyl-3-(2-fluorophenyl)-6,7-dihydro-5H-cinnolin-8-yl]-2-hydroxyacetamide is sourced from PubChem (CID 144841664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).