1-[2-methyl-6-[6-(morpholine-4-carbonyl)-3-pyridinyl]-4-(pyrazin-2-ylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone

C26H28N6O3 — CID 70976548

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

1-[2-methyl-6-[6-(morpholine-4-carbonyl)-3-pyridinyl]-4-(pyrazin-2-ylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone (PubChem CID 70976548) has the molecular formula C26H28N6O3 and a molecular weight of 472.55 g/mol. Its IUPAC name is 1-[2-methyl-6-[6-(morpholine-4-carbonyl)-3-pyridinyl]-4-(pyrazin-2-ylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone.

Molecular Properties

• Compound Name: 1-[2-methyl-6-[6-(morpholine-4-carbonyl)-3-pyridinyl]-4-(pyrazin-2-ylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone
• PubChem CID: 70976548
• Molecular Formula: C26H28N6O3
• Molecular Weight: 472.55 g/mol
• Exact Mass: 472.22
• IUPAC Name: 1-[2-methyl-6-[6-(morpholine-4-carbonyl)-3-pyridinyl]-4-(pyrazin-2-ylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone
• SMILES: CC(=O)N1c2ccc(-c3ccc(C(=O)N4CCOCC4)nc3)cc2C(Nc2cnccn2)CC1C
• InChI: InChI=1S/C26H28N6O3/c1-17-13-23(30-25-16-27-7-8-28-25)21-14-19(4-6-24(21)32(17)18(2)33)20-3-5-22(29-15-20)26(34)31-9-11-35-12-10-31/h3-8,14-17,23H,9-13H2,1-2H3,(H,28,30)
• InChIKey: YMAZKCRWLYGSAI-UHFFFAOYSA-N
• XLogP: 3.31
• TPSA: 100.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	472.55
LogP ≤ 5	3.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 1-[2-methyl-6-[6-(morpholine-4-carbonyl)-3-pyridinyl]-4-(pyrazin-2-ylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone (CID 70976548) is 1-[2-methyl-6-[6-(morpholine-4-carbonyl)-3-pyridinyl]-4-(pyrazin-2-ylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone.

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

The canonical SMILES for 1-[2-methyl-6-[6-(morpholine-4-carbonyl)-3-pyridinyl]-4-(pyrazin-2-ylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone is CC(=O)N1c2ccc(-c3ccc(C(=O)N4CCOCC4)nc3)cc2C(Nc2cnccn2)CC1C.

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

The InChIKey is YMAZKCRWLYGSAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O3/c1-17-13-23(30-25-16-27-7-8-28-25)21-14-19(4-6-24(21)32(17)18(2)33)20-3-5-22(29-15-20)26(34)31-9-11-35-12-10-31/h3-8,14-17,23H,9-13H2,1-2H3,(H,28,30).

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

1-[2-methyl-6-[6-(morpholine-4-carbonyl)-3-pyridinyl]-4-(pyrazin-2-ylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone has a molecular weight of 472.55 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-methyl-6-[6-(morpholine-4-carbonyl)-3-pyridinyl]-4-(pyrazin-2-ylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone is sourced from PubChem (CID 70976548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).