6-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-hydroxy-N-(4-methylcyclohexyl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide

C30H36N4O6 — CID 166831541

About 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-hydroxy-N-(4-methylcyclohexyl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide

6-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-hydroxy-N-(4-methylcyclohexyl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 166831541) has the molecular formula C30H36N4O6 and a molecular weight of 548.64 g/mol. Its IUPAC name is 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-hydroxy-N-(4-methylcyclohexyl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-hydroxy-N-(4-methylcyclohexyl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide
• PubChem CID: 166831541
• Molecular Formula: C30H36N4O6
• Molecular Weight: 548.64 g/mol
• Exact Mass: 548.26
• IUPAC Name: 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-hydroxy-N-(4-methylcyclohexyl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide
• SMILES: CC1CCC(NC(=O)c2c(O)c3cc(-c4ccc5c(c4)OCCO5)cnc3n(CCN3CCOCC3)c2=O)CC1
• InChI: InChI=1S/C30H36N4O6/c1-19-2-5-22(6-3-19)32-29(36)26-27(35)23-16-21(20-4-7-24-25(17-20)40-15-14-39-24)18-31-28(23)34(30(26)37)9-8-33-10-12-38-13-11-33/h4,7,16-19,22,35H,2-3,5-6,8-15H2,1H3,(H,32,36)
• InChIKey: LHDXGRHFEPNWGB-UHFFFAOYSA-N
• XLogP: 3.18
• TPSA: 115.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	548.64
LogP ≤ 5	3.18
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-hydroxy-N-(4-methylcyclohexyl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide?

The IUPAC name of 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-hydroxy-N-(4-methylcyclohexyl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide (CID 166831541) is 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-hydroxy-N-(4-methylcyclohexyl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide.

What is the SMILES notation for 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-hydroxy-N-(4-methylcyclohexyl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide?

The canonical SMILES for 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-hydroxy-N-(4-methylcyclohexyl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide is CC1CCC(NC(=O)c2c(O)c3cc(-c4ccc5c(c4)OCCO5)cnc3n(CCN3CCOCC3)c2=O)CC1.

What is the InChIKey of 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-hydroxy-N-(4-methylcyclohexyl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide?

The InChIKey is LHDXGRHFEPNWGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N4O6/c1-19-2-5-22(6-3-19)32-29(36)26-27(35)23-16-21(20-4-7-24-25(17-20)40-15-14-39-24)18-31-28(23)34(30(26)37)9-8-33-10-12-38-13-11-33/h4,7,16-19,22,35H,2-3,5-6,8-15H2,1H3,(H,32,36).

What are the key properties of 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-hydroxy-N-(4-methylcyclohexyl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide?

6-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-hydroxy-N-(4-methylcyclohexyl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 548.64 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-hydroxy-N-(4-methylcyclohexyl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 166831541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).