6-[(4-benzyl-1,2,5-oxadiazol-3-yl)sulfonyl]-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine

C26H22N6O3S — CID 91295650

About 6-[(4-benzyl-1,2,5-oxadiazol-3-yl)sulfonyl]-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine

6-[(4-benzyl-1,2,5-oxadiazol-3-yl)sulfonyl]-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine (PubChem CID 91295650) has the molecular formula C26H22N6O3S and a molecular weight of 498.57 g/mol. Its IUPAC name is 6-[(4-benzyl-1,2,5-oxadiazol-3-yl)sulfonyl]-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine.

Molecular Properties

• Compound Name: 6-[(4-benzyl-1,2,5-oxadiazol-3-yl)sulfonyl]-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine
• PubChem CID: 91295650
• Molecular Formula: C26H22N6O3S
• Molecular Weight: 498.57 g/mol
• Exact Mass: 498.15
• IUPAC Name: 6-[(4-benzyl-1,2,5-oxadiazol-3-yl)sulfonyl]-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine
• SMILES: O=S(=O)(c1nonc1Cc1ccccc1)N1CCc2c(ccnc2Nc2cnc3ccccc3c2)C1
• InChI: InChI=1S/C26H22N6O3S/c33-36(34,26-24(30-35-31-26)14-18-6-2-1-3-7-18)32-13-11-22-20(17-32)10-12-27-25(22)29-21-15-19-8-4-5-9-23(19)28-16-21/h1-10,12,15-16H,11,13-14,17H2,(H,27,29)
• InChIKey: HIEZGOJELNKETA-UHFFFAOYSA-N
• XLogP: 4.09
• TPSA: 114.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	498.57
LogP ≤ 5	4.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-[(4-benzyl-1,2,5-oxadiazol-3-yl)sulfonyl]-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine?

The IUPAC name of 6-[(4-benzyl-1,2,5-oxadiazol-3-yl)sulfonyl]-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine (CID 91295650) is 6-[(4-benzyl-1,2,5-oxadiazol-3-yl)sulfonyl]-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine.

What is the SMILES notation for 6-[(4-benzyl-1,2,5-oxadiazol-3-yl)sulfonyl]-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine?

The canonical SMILES for 6-[(4-benzyl-1,2,5-oxadiazol-3-yl)sulfonyl]-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine is O=S(=O)(c1nonc1Cc1ccccc1)N1CCc2c(ccnc2Nc2cnc3ccccc3c2)C1.

What is the InChIKey of 6-[(4-benzyl-1,2,5-oxadiazol-3-yl)sulfonyl]-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine?

The InChIKey is HIEZGOJELNKETA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N6O3S/c33-36(34,26-24(30-35-31-26)14-18-6-2-1-3-7-18)32-13-11-22-20(17-32)10-12-27-25(22)29-21-15-19-8-4-5-9-23(19)28-16-21/h1-10,12,15-16H,11,13-14,17H2,(H,27,29).

What are the key properties of 6-[(4-benzyl-1,2,5-oxadiazol-3-yl)sulfonyl]-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine?

6-[(4-benzyl-1,2,5-oxadiazol-3-yl)sulfonyl]-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine has a molecular weight of 498.57 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(4-benzyl-1,2,5-oxadiazol-3-yl)sulfonyl]-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine is sourced from PubChem (CID 91295650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).