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

C22H21N3O2 — CID 155023513

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

1-methyl-8-[5-[(4-methyl-2-oxo-1-pyridinyl)methyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one (PubChem CID 155023513) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is 1-methyl-8-[5-[(4-methyl-2-oxo-1-pyridinyl)methyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one.

Molecular Properties

• Compound Name: 1-methyl-8-[5-[(4-methyl-2-oxo-1-pyridinyl)methyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one
• PubChem CID: 155023513
• Molecular Formula: C22H21N3O2
• Molecular Weight: 359.43 g/mol
• Exact Mass: 359.16
• IUPAC Name: 1-methyl-8-[5-[(4-methyl-2-oxo-1-pyridinyl)methyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one
• SMILES: Cc1ccn(Cc2cncc(-c3cccc4c3N(C)C(=O)CC4)c2)c(=O)c1
• InChI: InChI=1S/C22H21N3O2/c1-15-8-9-25(21(27)10-15)14-16-11-18(13-23-12-16)19-5-3-4-17-6-7-20(26)24(2)22(17)19/h3-5,8-13H,6-7,14H2,1-2H3
• InChIKey: OSPDNVMNZHDYOE-UHFFFAOYSA-N
• XLogP: 3.18
• TPSA: 55.20 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	359.43
LogP ≤ 5	3.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 1-methyl-8-[5-[(4-methyl-2-oxo-1-pyridinyl)methyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one (CID 155023513) is 1-methyl-8-[5-[(4-methyl-2-oxo-1-pyridinyl)methyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one.

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

The canonical SMILES for 1-methyl-8-[5-[(4-methyl-2-oxo-1-pyridinyl)methyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one is Cc1ccn(Cc2cncc(-c3cccc4c3N(C)C(=O)CC4)c2)c(=O)c1.

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

The InChIKey is OSPDNVMNZHDYOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c1-15-8-9-25(21(27)10-15)14-16-11-18(13-23-12-16)19-5-3-4-17-6-7-20(26)24(2)22(17)19/h3-5,8-13H,6-7,14H2,1-2H3.

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

1-methyl-8-[5-[(4-methyl-2-oxo-1-pyridinyl)methyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one has a molecular weight of 359.43 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-8-[5-[(4-methyl-2-oxo-1-pyridinyl)methyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 155023513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).