1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-[6-methyl-4-(pyrimidin-2-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone

C26H30N6O — CID 110093101

About 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-[6-methyl-4-(pyrimidin-2-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone

1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-[6-methyl-4-(pyrimidin-2-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone (PubChem CID 110093101) has the molecular formula C26H30N6O and a molecular weight of 442.57 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-[6-methyl-4-(pyrimidin-2-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-[6-methyl-4-(pyrimidin-2-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone
• PubChem CID: 110093101
• Molecular Formula: C26H30N6O
• Molecular Weight: 442.57 g/mol
• Exact Mass: 442.25
• IUPAC Name: 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-[6-methyl-4-(pyrimidin-2-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone
• SMILES: Cc1cc(Nc2ncccn2)cc(C2CCN(CC(=O)N3CCCc4ccccc43)CC2)n1
• InChI: InChI=1S/C26H30N6O/c1-19-16-22(30-26-27-11-5-12-28-26)17-23(29-19)20-9-14-31(15-10-20)18-25(33)32-13-4-7-21-6-2-3-8-24(21)32/h2-3,5-6,8,11-12,16-17,20H,4,7,9-10,13-15,18H2,1H3,(H,27,28,29,30)
• InChIKey: VGJJEBOMMXQKPU-UHFFFAOYSA-N
• XLogP: 4.08
• TPSA: 74.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	442.57
LogP ≤ 5	4.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-[6-methyl-4-(pyrimidin-2-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone (CID 110093101) is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-[6-methyl-4-(pyrimidin-2-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone.

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

The canonical SMILES for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-[6-methyl-4-(pyrimidin-2-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone is Cc1cc(Nc2ncccn2)cc(C2CCN(CC(=O)N3CCCc4ccccc43)CC2)n1.

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

The InChIKey is VGJJEBOMMXQKPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O/c1-19-16-22(30-26-27-11-5-12-28-26)17-23(29-19)20-9-14-31(15-10-20)18-25(33)32-13-4-7-21-6-2-3-8-24(21)32/h2-3,5-6,8,11-12,16-17,20H,4,7,9-10,13-15,18H2,1H3,(H,27,28,29,30).

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

1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-[6-methyl-4-(pyrimidin-2-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone has a molecular weight of 442.57 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-[6-methyl-4-(pyrimidin-2-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 110093101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).