1-methyl-7-methylsulfonyl-3,4-dihydro-2H-pyrrolo[2,3-h][1,6]naphthyridine

C₁₂H₁₅N₃O₂S — CID 58557965

About 1-methyl-7-methylsulfonyl-3,4-dihydro-2H-pyrrolo[2,3-h][1,6]naphthyridine

1-methyl-7-methylsulfonyl-3,4-dihydro-2H-pyrrolo[2,3-h][1,6]naphthyridine (PubChem CID 58557965) has the molecular formula C₁₂H₁₅N₃O₂S and a molecular weight of 265.34 g/mol. Its IUPAC name is 1-methyl-7-methylsulfonyl-3,4-dihydro-2H-pyrrolo[2,3-h][1,6]naphthyridine.

Molecular Properties

• Compound Name: 1-methyl-7-methylsulfonyl-3,4-dihydro-2H-pyrrolo[2,3-h][1,6]naphthyridine
• PubChem CID: 58557965
• Molecular Formula: C₁₂H₁₅N₃O₂S
• Molecular Weight: 265.34 g/mol
• Exact Mass: 265.09
• IUPAC Name: 1-methyl-7-methylsulfonyl-3,4-dihydro-2H-pyrrolo[2,3-h][1,6]naphthyridine
• SMILES: CN1CCCc2cnc3c(ccn3S(C)(=O)=O)c21
• InChI: InChI=1S/C12H15N3O2S/c1-14-6-3-4-9-8-13-12-10(11(9)14)5-7-15(12)18(2,16)17/h5,7-8H,3-4,6H2,1-2H3
• InChIKey: HOWGFQRAEVDUHT-UHFFFAOYSA-N
• XLogP: 1.23
• TPSA: 55.20 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 1
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	265.34
LogP ≤ 5	1.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-methyl-7-methylsulfonyl-3,4-dihydro-2H-pyrrolo[2,3-h][1,6]naphthyridine?

The IUPAC name of 1-methyl-7-methylsulfonyl-3,4-dihydro-2H-pyrrolo[2,3-h][1,6]naphthyridine (CID 58557965) is 1-methyl-7-methylsulfonyl-3,4-dihydro-2H-pyrrolo[2,3-h][1,6]naphthyridine.

What is the SMILES notation for 1-methyl-7-methylsulfonyl-3,4-dihydro-2H-pyrrolo[2,3-h][1,6]naphthyridine?

The canonical SMILES for 1-methyl-7-methylsulfonyl-3,4-dihydro-2H-pyrrolo[2,3-h][1,6]naphthyridine is CN1CCCc2cnc3c(ccn3S(C)(=O)=O)c21.

What is the InChIKey of 1-methyl-7-methylsulfonyl-3,4-dihydro-2H-pyrrolo[2,3-h][1,6]naphthyridine?

The InChIKey is HOWGFQRAEVDUHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-14-6-3-4-9-8-13-12-10(11(9)14)5-7-15(12)18(2,16)17/h5,7-8H,3-4,6H2,1-2H3.

What are the key properties of 1-methyl-7-methylsulfonyl-3,4-dihydro-2H-pyrrolo[2,3-h][1,6]naphthyridine?

1-methyl-7-methylsulfonyl-3,4-dihydro-2H-pyrrolo[2,3-h][1,6]naphthyridine has a molecular weight of 265.34 g/mol, XLogP of 1.23, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-7-methylsulfonyl-3,4-dihydro-2H-pyrrolo[2,3-h][1,6]naphthyridine is sourced from PubChem (CID 58557965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 58557965 — identifiers, structure, computed properties (public domain)

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