1-[6-(diazetidin-3-yl)-2-methyl-4-[(6-methyl-2-pyridinyl)amino]-3,4-dihydro-2H-quinolin-1-yl]ethanone

C20H25N5O — CID 123907867

About 1-[6-(diazetidin-3-yl)-2-methyl-4-[(6-methyl-2-pyridinyl)amino]-3,4-dihydro-2H-quinolin-1-yl]ethanone

1-[6-(diazetidin-3-yl)-2-methyl-4-[(6-methyl-2-pyridinyl)amino]-3,4-dihydro-2H-quinolin-1-yl]ethanone (PubChem CID 123907867) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is 1-[6-(diazetidin-3-yl)-2-methyl-4-[(6-methyl-2-pyridinyl)amino]-3,4-dihydro-2H-quinolin-1-yl]ethanone.

Molecular Properties

• Compound Name: 1-[6-(diazetidin-3-yl)-2-methyl-4-[(6-methyl-2-pyridinyl)amino]-3,4-dihydro-2H-quinolin-1-yl]ethanone
• PubChem CID: 123907867
• Molecular Formula: C20H25N5O
• Molecular Weight: 351.45 g/mol
• Exact Mass: 351.21
• IUPAC Name: 1-[6-(diazetidin-3-yl)-2-methyl-4-[(6-methyl-2-pyridinyl)amino]-3,4-dihydro-2H-quinolin-1-yl]ethanone
• SMILES: CC(=O)N1c2ccc(C3CNN3)cc2C(Nc2cccc(C)n2)CC1C
• InChI: InChI=1S/C20H25N5O/c1-12-5-4-6-20(22-12)23-17-9-13(2)25(14(3)26)19-8-7-15(10-16(17)19)18-11-21-24-18/h4-8,10,13,17-18,21,24H,9,11H2,1-3H3,(H,22,23)
• InChIKey: DEXNZDZDIOHZRZ-UHFFFAOYSA-N
• XLogP: 2.84
• TPSA: 69.29 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	351.45
LogP ≤ 5	2.84
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[6-(diazetidin-3-yl)-2-methyl-4-[(6-methyl-2-pyridinyl)amino]-3,4-dihydro-2H-quinolin-1-yl]ethanone?

The IUPAC name of 1-[6-(diazetidin-3-yl)-2-methyl-4-[(6-methyl-2-pyridinyl)amino]-3,4-dihydro-2H-quinolin-1-yl]ethanone (CID 123907867) is 1-[6-(diazetidin-3-yl)-2-methyl-4-[(6-methyl-2-pyridinyl)amino]-3,4-dihydro-2H-quinolin-1-yl]ethanone.

What is the SMILES notation for 1-[6-(diazetidin-3-yl)-2-methyl-4-[(6-methyl-2-pyridinyl)amino]-3,4-dihydro-2H-quinolin-1-yl]ethanone?

The canonical SMILES for 1-[6-(diazetidin-3-yl)-2-methyl-4-[(6-methyl-2-pyridinyl)amino]-3,4-dihydro-2H-quinolin-1-yl]ethanone is CC(=O)N1c2ccc(C3CNN3)cc2C(Nc2cccc(C)n2)CC1C.

What is the InChIKey of 1-[6-(diazetidin-3-yl)-2-methyl-4-[(6-methyl-2-pyridinyl)amino]-3,4-dihydro-2H-quinolin-1-yl]ethanone?

The InChIKey is DEXNZDZDIOHZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O/c1-12-5-4-6-20(22-12)23-17-9-13(2)25(14(3)26)19-8-7-15(10-16(17)19)18-11-21-24-18/h4-8,10,13,17-18,21,24H,9,11H2,1-3H3,(H,22,23).

What are the key properties of 1-[6-(diazetidin-3-yl)-2-methyl-4-[(6-methyl-2-pyridinyl)amino]-3,4-dihydro-2H-quinolin-1-yl]ethanone?

1-[6-(diazetidin-3-yl)-2-methyl-4-[(6-methyl-2-pyridinyl)amino]-3,4-dihydro-2H-quinolin-1-yl]ethanone has a molecular weight of 351.45 g/mol, XLogP of 2.84, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[6-(diazetidin-3-yl)-2-methyl-4-[(6-methyl-2-pyridinyl)amino]-3,4-dihydro-2H-quinolin-1-yl]ethanone is sourced from PubChem (CID 123907867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).