6-ethyl-4-(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)-1H-pyridin-2-one

C18H19FN2O2 — CID 74247646

About 6-ethyl-4-(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)-1H-pyridin-2-one

6-ethyl-4-(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)-1H-pyridin-2-one (PubChem CID 74247646) has the molecular formula C18H19FN2O2 and a molecular weight of 314.36 g/mol. Its IUPAC name is 6-ethyl-4-(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)-1H-pyridin-2-one.

Molecular Properties

• Compound Name: 6-ethyl-4-(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)-1H-pyridin-2-one
• PubChem CID: 74247646
• Molecular Formula: C18H19FN2O2
• Molecular Weight: 314.36 g/mol
• Exact Mass: 314.14
• IUPAC Name: 6-ethyl-4-(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)-1H-pyridin-2-one
• SMILES: CCc1cc(C(=O)N2CCc3ccc(F)cc3C2C)cc(=O)[nH]1
• InChI: InChI=1S/C18H19FN2O2/c1-3-15-8-13(9-17(22)20-15)18(23)21-7-6-12-4-5-14(19)10-16(12)11(21)2/h4-5,8-11H,3,6-7H2,1-2H3,(H,20,22)
• InChIKey: JTDGIPICTBEQLO-UHFFFAOYSA-N
• XLogP: 2.84
• TPSA: 53.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	314.36
LogP ≤ 5	2.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-4-(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)-1H-pyridin-2-one?

The IUPAC name of 6-ethyl-4-(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)-1H-pyridin-2-one (CID 74247646) is 6-ethyl-4-(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)-1H-pyridin-2-one.

What is the SMILES notation for 6-ethyl-4-(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)-1H-pyridin-2-one?

The canonical SMILES for 6-ethyl-4-(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)-1H-pyridin-2-one is CCc1cc(C(=O)N2CCc3ccc(F)cc3C2C)cc(=O)[nH]1.

What is the InChIKey of 6-ethyl-4-(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)-1H-pyridin-2-one?

The InChIKey is JTDGIPICTBEQLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O2/c1-3-15-8-13(9-17(22)20-15)18(23)21-7-6-12-4-5-14(19)10-16(12)11(21)2/h4-5,8-11H,3,6-7H2,1-2H3,(H,20,22).

What are the key properties of 6-ethyl-4-(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)-1H-pyridin-2-one?

6-ethyl-4-(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)-1H-pyridin-2-one has a molecular weight of 314.36 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 6-ethyl-4-(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)-1H-pyridin-2-one is sourced from PubChem (CID 74247646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).