(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-[4-[6-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]methanone

C26H30N6O — CID 110094322

About (1-methyl-3,4-dihydro-2H-quinolin-6-yl)-[4-[6-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]methanone

(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-[4-[6-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]methanone (PubChem CID 110094322) has the molecular formula C26H30N6O and a molecular weight of 442.57 g/mol. Its IUPAC name is (1-methyl-3,4-dihydro-2H-quinolin-6-yl)-[4-[6-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: (1-methyl-3,4-dihydro-2H-quinolin-6-yl)-[4-[6-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]methanone
• PubChem CID: 110094322
• Molecular Formula: C26H30N6O
• Molecular Weight: 442.57 g/mol
• Exact Mass: 442.25
• IUPAC Name: (1-methyl-3,4-dihydro-2H-quinolin-6-yl)-[4-[6-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]methanone
• SMILES: Cc1cccc(Nc2cncc(C3CCN(C(=O)c4ccc5c(c4)CCCN5C)CC3)n2)n1
• InChI: InChI=1S/C26H30N6O/c1-18-5-3-7-24(28-18)30-25-17-27-16-22(29-25)19-10-13-32(14-11-19)26(33)21-8-9-23-20(15-21)6-4-12-31(23)2/h3,5,7-9,15-17,19H,4,6,10-14H2,1-2H3,(H,28,29,30)
• InChIKey: KPNXIQBVQWKTOW-UHFFFAOYSA-N
• XLogP: 4.33
• TPSA: 74.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	442.57
LogP ≤ 5	4.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of (1-methyl-3,4-dihydro-2H-quinolin-6-yl)-[4-[6-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]methanone (CID 110094322) is (1-methyl-3,4-dihydro-2H-quinolin-6-yl)-[4-[6-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]methanone.

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

The canonical SMILES for (1-methyl-3,4-dihydro-2H-quinolin-6-yl)-[4-[6-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]methanone is Cc1cccc(Nc2cncc(C3CCN(C(=O)c4ccc5c(c4)CCCN5C)CC3)n2)n1.

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

The InChIKey is KPNXIQBVQWKTOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O/c1-18-5-3-7-24(28-18)30-25-17-27-16-22(29-25)19-10-13-32(14-11-19)26(33)21-8-9-23-20(15-21)6-4-12-31(23)2/h3,5,7-9,15-17,19H,4,6,10-14H2,1-2H3,(H,28,29,30).

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

(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-[4-[6-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]methanone has a molecular weight of 442.57 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (1-methyl-3,4-dihydro-2H-quinolin-6-yl)-[4-[6-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 110094322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).