6-(5-methylthiophen-2-yl)sulfonyl-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine

C22H20N4O2S2 — CID 68844013

About 6-(5-methylthiophen-2-yl)sulfonyl-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine

6-(5-methylthiophen-2-yl)sulfonyl-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine (PubChem CID 68844013) has the molecular formula C22H20N4O2S2 and a molecular weight of 436.56 g/mol. Its IUPAC name is 6-(5-methylthiophen-2-yl)sulfonyl-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine.

Molecular Properties

• Compound Name: 6-(5-methylthiophen-2-yl)sulfonyl-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine
• PubChem CID: 68844013
• Molecular Formula: C22H20N4O2S2
• Molecular Weight: 436.56 g/mol
• Exact Mass: 436.10
• IUPAC Name: 6-(5-methylthiophen-2-yl)sulfonyl-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine
• SMILES: Cc1ccc(S(=O)(=O)N2CCc3c(ccnc3Nc3cnc4ccccc4c3)C2)s1
• InChI: InChI=1S/C22H20N4O2S2/c1-15-6-7-21(29-15)30(27,28)26-11-9-19-17(14-26)8-10-23-22(19)25-18-12-16-4-2-3-5-20(16)24-13-18/h2-8,10,12-13H,9,11,14H2,1H3,(H,23,25)
• InChIKey: LMOHFIWEKLZYKB-UHFFFAOYSA-N
• XLogP: 4.49
• TPSA: 75.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.56
LogP ≤ 5	4.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 6-(5-methylthiophen-2-yl)sulfonyl-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine (CID 68844013) is 6-(5-methylthiophen-2-yl)sulfonyl-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine.

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

The canonical SMILES for 6-(5-methylthiophen-2-yl)sulfonyl-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine is Cc1ccc(S(=O)(=O)N2CCc3c(ccnc3Nc3cnc4ccccc4c3)C2)s1.

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

The InChIKey is LMOHFIWEKLZYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2S2/c1-15-6-7-21(29-15)30(27,28)26-11-9-19-17(14-26)8-10-23-22(19)25-18-12-16-4-2-3-5-20(16)24-13-18/h2-8,10,12-13H,9,11,14H2,1H3,(H,23,25).

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

6-(5-methylthiophen-2-yl)sulfonyl-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine has a molecular weight of 436.56 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(5-methylthiophen-2-yl)sulfonyl-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine is sourced from PubChem (CID 68844013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).