6-naphthalen-2-ylsulfonyl-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine

C27H22N4O2S — CID 68848416

About 6-naphthalen-2-ylsulfonyl-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine

6-naphthalen-2-ylsulfonyl-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine (PubChem CID 68848416) has the molecular formula C27H22N4O2S and a molecular weight of 466.57 g/mol. Its IUPAC name is 6-naphthalen-2-ylsulfonyl-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine.

Molecular Properties

• Compound Name: 6-naphthalen-2-ylsulfonyl-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine
• PubChem CID: 68848416
• Molecular Formula: C27H22N4O2S
• Molecular Weight: 466.57 g/mol
• Exact Mass: 466.15
• IUPAC Name: 6-naphthalen-2-ylsulfonyl-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine
• SMILES: O=S(=O)(c1ccc2ccccc2c1)N1CCc2c(ccnc2Nc2cnc3ccccc3c2)C1
• InChI: InChI=1S/C27H22N4O2S/c32-34(33,24-10-9-19-5-1-2-6-20(19)16-24)31-14-12-25-22(18-31)11-13-28-27(25)30-23-15-21-7-3-4-8-26(21)29-17-23/h1-11,13,15-17H,12,14,18H2,(H,28,30)
• InChIKey: MKAPVBKWGVREGJ-UHFFFAOYSA-N
• XLogP: 5.27
• TPSA: 75.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	466.57
LogP ≤ 5	5.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-naphthalen-2-ylsulfonyl-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine?

The IUPAC name of 6-naphthalen-2-ylsulfonyl-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine (CID 68848416) is 6-naphthalen-2-ylsulfonyl-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine.

What is the SMILES notation for 6-naphthalen-2-ylsulfonyl-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine?

The canonical SMILES for 6-naphthalen-2-ylsulfonyl-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine is O=S(=O)(c1ccc2ccccc2c1)N1CCc2c(ccnc2Nc2cnc3ccccc3c2)C1.

What is the InChIKey of 6-naphthalen-2-ylsulfonyl-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine?

The InChIKey is MKAPVBKWGVREGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N4O2S/c32-34(33,24-10-9-19-5-1-2-6-20(19)16-24)31-14-12-25-22(18-31)11-13-28-27(25)30-23-15-21-7-3-4-8-26(21)29-17-23/h1-11,13,15-17H,12,14,18H2,(H,28,30).

What are the key properties of 6-naphthalen-2-ylsulfonyl-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine?

6-naphthalen-2-ylsulfonyl-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine has a molecular weight of 466.57 g/mol, XLogP of 5.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-naphthalen-2-ylsulfonyl-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine is sourced from PubChem (CID 68848416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).