2-[[5-(5-chloro-2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-(1-methylpiperidin-4-yl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide

C29H31ClN6O3 — CID 46212918

About 2-[[5-(5-chloro-2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-(1-methylpiperidin-4-yl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide

2-[[5-(5-chloro-2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-(1-methylpiperidin-4-yl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide (PubChem CID 46212918) has the molecular formula C29H31ClN6O3 and a molecular weight of 547.06 g/mol. Its IUPAC name is 2-[[5-(5-chloro-2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-(1-methylpiperidin-4-yl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide.

Molecular Properties

• Compound Name: 2-[[5-(5-chloro-2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-(1-methylpiperidin-4-yl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
• PubChem CID: 46212918
• Molecular Formula: C29H31ClN6O3
• Molecular Weight: 547.06 g/mol
• Exact Mass: 546.21
• IUPAC Name: 2-[[5-(5-chloro-2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-(1-methylpiperidin-4-yl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
• SMILES: COc1ccc(Cl)cc1-c1nnc(CN2CCc3nc4ccccc4c(C(=O)NC4CCN(C)CC4)c3C2)o1
• InChI: InChI=1S/C29H31ClN6O3/c1-35-12-9-19(10-13-35)31-28(37)27-20-5-3-4-6-23(20)32-24-11-14-36(16-22(24)27)17-26-33-34-29(39-26)21-15-18(30)7-8-25(21)38-2/h3-8,15,19H,9-14,16-17H2,1-2H3,(H,31,37)
• InChIKey: IFXKALXIXMZHAM-UHFFFAOYSA-N
• XLogP: 4.33
• TPSA: 96.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	547.06
LogP ≤ 5	4.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(5-chloro-2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-(1-methylpiperidin-4-yl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide?

The IUPAC name of 2-[[5-(5-chloro-2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-(1-methylpiperidin-4-yl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide (CID 46212918) is 2-[[5-(5-chloro-2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-(1-methylpiperidin-4-yl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide.

What is the SMILES notation for 2-[[5-(5-chloro-2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-(1-methylpiperidin-4-yl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide?

The canonical SMILES for 2-[[5-(5-chloro-2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-(1-methylpiperidin-4-yl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide is COc1ccc(Cl)cc1-c1nnc(CN2CCc3nc4ccccc4c(C(=O)NC4CCN(C)CC4)c3C2)o1.

What is the InChIKey of 2-[[5-(5-chloro-2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-(1-methylpiperidin-4-yl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide?

The InChIKey is IFXKALXIXMZHAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31ClN6O3/c1-35-12-9-19(10-13-35)31-28(37)27-20-5-3-4-6-23(20)32-24-11-14-36(16-22(24)27)17-26-33-34-29(39-26)21-15-18(30)7-8-25(21)38-2/h3-8,15,19H,9-14,16-17H2,1-2H3,(H,31,37).

What are the key properties of 2-[[5-(5-chloro-2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-(1-methylpiperidin-4-yl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide?

2-[[5-(5-chloro-2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-(1-methylpiperidin-4-yl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide has a molecular weight of 547.06 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[5-(5-chloro-2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-(1-methylpiperidin-4-yl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide is sourced from PubChem (CID 46212918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).