6-(4-propan-2-ylphenyl)sulfonyl-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine

C26H26N4O2S — CID 68844408

About 6-(4-propan-2-ylphenyl)sulfonyl-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine

6-(4-propan-2-ylphenyl)sulfonyl-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine (PubChem CID 68844408) has the molecular formula C26H26N4O2S and a molecular weight of 458.59 g/mol. Its IUPAC name is 6-(4-propan-2-ylphenyl)sulfonyl-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine.

Molecular Properties

• Compound Name: 6-(4-propan-2-ylphenyl)sulfonyl-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine
• PubChem CID: 68844408
• Molecular Formula: C26H26N4O2S
• Molecular Weight: 458.59 g/mol
• Exact Mass: 458.18
• IUPAC Name: 6-(4-propan-2-ylphenyl)sulfonyl-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine
• SMILES: CC(C)c1ccc(S(=O)(=O)N2CCc3c(ccnc3Nc3cnc4ccccc4c3)C2)cc1
• InChI: InChI=1S/C26H26N4O2S/c1-18(2)19-7-9-23(10-8-19)33(31,32)30-14-12-24-21(17-30)11-13-27-26(24)29-22-15-20-5-3-4-6-25(20)28-16-22/h3-11,13,15-16,18H,12,14,17H2,1-2H3,(H,27,29)
• InChIKey: BMONYIJXPVENFP-UHFFFAOYSA-N
• XLogP: 5.24
• TPSA: 75.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	458.59
LogP ≤ 5	5.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 6-(4-propan-2-ylphenyl)sulfonyl-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine (CID 68844408) is 6-(4-propan-2-ylphenyl)sulfonyl-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine.

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

The canonical SMILES for 6-(4-propan-2-ylphenyl)sulfonyl-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine is CC(C)c1ccc(S(=O)(=O)N2CCc3c(ccnc3Nc3cnc4ccccc4c3)C2)cc1.

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

The InChIKey is BMONYIJXPVENFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O2S/c1-18(2)19-7-9-23(10-8-19)33(31,32)30-14-12-24-21(17-30)11-13-27-26(24)29-22-15-20-5-3-4-6-25(20)28-16-22/h3-11,13,15-16,18H,12,14,17H2,1-2H3,(H,27,29).

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

6-(4-propan-2-ylphenyl)sulfonyl-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine has a molecular weight of 458.59 g/mol, XLogP of 5.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(4-propan-2-ylphenyl)sulfonyl-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine is sourced from PubChem (CID 68844408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).