7-fluoro-1-methyl-8-[5-[(4-methyl-2-pyridinyl)oxymethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one

C22H20FN3O2 — CID 139462714

About 7-fluoro-1-methyl-8-[5-[(4-methyl-2-pyridinyl)oxymethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one

7-fluoro-1-methyl-8-[5-[(4-methyl-2-pyridinyl)oxymethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one (PubChem CID 139462714) has the molecular formula C22H20FN3O2 and a molecular weight of 377.42 g/mol. Its IUPAC name is 7-fluoro-1-methyl-8-[5-[(4-methyl-2-pyridinyl)oxymethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one.

Molecular Properties

• Compound Name: 7-fluoro-1-methyl-8-[5-[(4-methyl-2-pyridinyl)oxymethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one
• PubChem CID: 139462714
• Molecular Formula: C22H20FN3O2
• Molecular Weight: 377.42 g/mol
• Exact Mass: 377.15
• IUPAC Name: 7-fluoro-1-methyl-8-[5-[(4-methyl-2-pyridinyl)oxymethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one
• SMILES: Cc1ccnc(OCc2cncc(-c3c(F)ccc4c3N(C)C(=O)CC4)c2)c1
• InChI: InChI=1S/C22H20FN3O2/c1-14-7-8-25-19(9-14)28-13-15-10-17(12-24-11-15)21-18(23)5-3-16-4-6-20(27)26(2)22(16)21/h3,5,7-12H,4,6,13H2,1-2H3
• InChIKey: CZHUIDFOLCHQAL-UHFFFAOYSA-N
• XLogP: 4.08
• TPSA: 55.32 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	377.42
LogP ≤ 5	4.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-1-methyl-8-[5-[(4-methyl-2-pyridinyl)oxymethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one?

The IUPAC name of 7-fluoro-1-methyl-8-[5-[(4-methyl-2-pyridinyl)oxymethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one (CID 139462714) is 7-fluoro-1-methyl-8-[5-[(4-methyl-2-pyridinyl)oxymethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one.

What is the SMILES notation for 7-fluoro-1-methyl-8-[5-[(4-methyl-2-pyridinyl)oxymethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one?

The canonical SMILES for 7-fluoro-1-methyl-8-[5-[(4-methyl-2-pyridinyl)oxymethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one is Cc1ccnc(OCc2cncc(-c3c(F)ccc4c3N(C)C(=O)CC4)c2)c1.

What is the InChIKey of 7-fluoro-1-methyl-8-[5-[(4-methyl-2-pyridinyl)oxymethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one?

The InChIKey is CZHUIDFOLCHQAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O2/c1-14-7-8-25-19(9-14)28-13-15-10-17(12-24-11-15)21-18(23)5-3-16-4-6-20(27)26(2)22(16)21/h3,5,7-12H,4,6,13H2,1-2H3.

What are the key properties of 7-fluoro-1-methyl-8-[5-[(4-methyl-2-pyridinyl)oxymethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one?

7-fluoro-1-methyl-8-[5-[(4-methyl-2-pyridinyl)oxymethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one has a molecular weight of 377.42 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 7-fluoro-1-methyl-8-[5-[(4-methyl-2-pyridinyl)oxymethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 139462714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).