5-fluoro-1-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline

C₁₄H₁₆FN₃ — CID 121385888

About 5-fluoro-1-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline

5-fluoro-1-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline (PubChem CID 121385888) has the molecular formula C₁₄H₁₆FN₃ and a molecular weight of 245.30 g/mol. Its IUPAC name is 5-fluoro-1-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline.

Molecular Properties

• Compound Name: 5-fluoro-1-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline
• PubChem CID: 121385888
• Molecular Formula: C₁₄H₁₆FN₃
• Molecular Weight: 245.30 g/mol
• Exact Mass: 245.13
• IUPAC Name: 5-fluoro-1-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline
• SMILES: CN1CCCc2c1ccc(-c1cnn(C)c1)c2F
• InChI: InChI=1S/C14H16FN3/c1-17-7-3-4-12-13(17)6-5-11(14(12)15)10-8-16-18(2)9-10/h5-6,8-9H,3-4,7H2,1-2H3
• InChIKey: NIDFUUCFUYPJLE-UHFFFAOYSA-N
• XLogP: 2.61
• TPSA: 21.06 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 1
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	245.30
LogP ≤ 5	2.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline?

The IUPAC name of 5-fluoro-1-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline (CID 121385888) is 5-fluoro-1-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline.

What is the SMILES notation for 5-fluoro-1-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline?

The canonical SMILES for 5-fluoro-1-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline is CN1CCCc2c1ccc(-c1cnn(C)c1)c2F.

What is the InChIKey of 5-fluoro-1-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline?

The InChIKey is NIDFUUCFUYPJLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3/c1-17-7-3-4-12-13(17)6-5-11(14(12)15)10-8-16-18(2)9-10/h5-6,8-9H,3-4,7H2,1-2H3.

What are the key properties of 5-fluoro-1-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline?

5-fluoro-1-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline has a molecular weight of 245.30 g/mol, XLogP of 2.61, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-fluoro-1-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 121385888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 121385888 — identifiers, structure, computed properties (public domain)

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