2-fluoro-5-methyl-4a,5b-dihydroindolo[3,2-b]quinoline

C₁₆H₁₃FN₂ — CID 152758496

About 2-fluoro-5-methyl-4a,5b-dihydroindolo[3,2-b]quinoline

2-fluoro-5-methyl-4a,5b-dihydroindolo[3,2-b]quinoline (PubChem CID 152758496) has the molecular formula C₁₆H₁₃FN₂ and a molecular weight of 252.29 g/mol. Its IUPAC name is 2-fluoro-5-methyl-4a,5b-dihydroindolo[3,2-b]quinoline.

Molecular Properties

• Compound Name: 2-fluoro-5-methyl-4a,5b-dihydroindolo[3,2-b]quinoline
• PubChem CID: 152758496
• Molecular Formula: C₁₆H₁₃FN₂
• Molecular Weight: 252.29 g/mol
• Exact Mass: 252.11
• IUPAC Name: 2-fluoro-5-methyl-4a,5b-dihydroindolo[3,2-b]quinoline
• SMILES: CN1C2=C(C=C3C=C(F)C=CC31)N=C1C=CC=CC12
• InChI: InChI=1S/C16H13FN2/c1-19-15-7-6-11(17)8-10(15)9-14-16(19)12-4-2-3-5-13(12)18-14/h2-9,12,15H,1H3
• InChIKey: SFNLBLYREDSEOM-UHFFFAOYSA-N
• XLogP: 3.06
• TPSA: 15.60 Ų
• H-Bond Acceptors: 2
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	252.29
LogP ≤ 5	3.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-methyl-4a,5b-dihydroindolo[3,2-b]quinoline?

The IUPAC name of 2-fluoro-5-methyl-4a,5b-dihydroindolo[3,2-b]quinoline (CID 152758496) is 2-fluoro-5-methyl-4a,5b-dihydroindolo[3,2-b]quinoline.

What is the SMILES notation for 2-fluoro-5-methyl-4a,5b-dihydroindolo[3,2-b]quinoline?

The canonical SMILES for 2-fluoro-5-methyl-4a,5b-dihydroindolo[3,2-b]quinoline is CN1C2=C(C=C3C=C(F)C=CC31)N=C1C=CC=CC12.

What is the InChIKey of 2-fluoro-5-methyl-4a,5b-dihydroindolo[3,2-b]quinoline?

The InChIKey is SFNLBLYREDSEOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2/c1-19-15-7-6-11(17)8-10(15)9-14-16(19)12-4-2-3-5-13(12)18-14/h2-9,12,15H,1H3.

What are the key properties of 2-fluoro-5-methyl-4a,5b-dihydroindolo[3,2-b]quinoline?

2-fluoro-5-methyl-4a,5b-dihydroindolo[3,2-b]quinoline has a molecular weight of 252.29 g/mol, XLogP of 3.06, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-fluoro-5-methyl-4a,5b-dihydroindolo[3,2-b]quinoline is sourced from PubChem (CID 152758496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 152758496 — identifiers, structure, computed properties (public domain)

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