6-[7-[[(5-methyl-2-pyridinyl)-morpholin-2-ylmethyl]amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one

C33H35N5O4 — CID 121393804

About 6-[7-[[(5-methyl-2-pyridinyl)-morpholin-2-ylmethyl]amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one

6-[7-[[(5-methyl-2-pyridinyl)-morpholin-2-ylmethyl]amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one (PubChem CID 121393804) has the molecular formula C33H35N5O4 and a molecular weight of 565.67 g/mol. Its IUPAC name is 6-[7-[[(5-methyl-2-pyridinyl)-morpholin-2-ylmethyl]amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one.

Molecular Properties

• Compound Name: 6-[7-[[(5-methyl-2-pyridinyl)-morpholin-2-ylmethyl]amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one
• PubChem CID: 121393804
• Molecular Formula: C33H35N5O4
• Molecular Weight: 565.67 g/mol
• Exact Mass: 565.27
• IUPAC Name: 6-[7-[[(5-methyl-2-pyridinyl)-morpholin-2-ylmethyl]amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one
• SMILES: Cc1ccc(C(Nc2ccc3c(c2)Cc2cccc(-c4cc(N5CCOCC5)cc(=O)[nH]4)c2O3)C2CNCCO2)nc1
• InChI: InChI=1S/C33H35N5O4/c1-21-5-7-27(35-19-21)32(30-20-34-9-12-41-30)36-24-6-8-29-23(16-24)15-22-3-2-4-26(33(22)42-29)28-17-25(18-31(39)37-28)38-10-13-40-14-11-38/h2-8,16-19,30,32,34,36H,9-15,20H2,1H3,(H,37,39)
• InChIKey: VRAPXTDNMQVHMQ-UHFFFAOYSA-N
• XLogP: 4.42
• TPSA: 100.74 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	565.67
LogP ≤ 5	4.42
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-[7-[[(5-methyl-2-pyridinyl)-morpholin-2-ylmethyl]amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one?

The IUPAC name of 6-[7-[[(5-methyl-2-pyridinyl)-morpholin-2-ylmethyl]amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one (CID 121393804) is 6-[7-[[(5-methyl-2-pyridinyl)-morpholin-2-ylmethyl]amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one.

What is the SMILES notation for 6-[7-[[(5-methyl-2-pyridinyl)-morpholin-2-ylmethyl]amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one?

The canonical SMILES for 6-[7-[[(5-methyl-2-pyridinyl)-morpholin-2-ylmethyl]amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one is Cc1ccc(C(Nc2ccc3c(c2)Cc2cccc(-c4cc(N5CCOCC5)cc(=O)[nH]4)c2O3)C2CNCCO2)nc1.

What is the InChIKey of 6-[7-[[(5-methyl-2-pyridinyl)-morpholin-2-ylmethyl]amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one?

The InChIKey is VRAPXTDNMQVHMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H35N5O4/c1-21-5-7-27(35-19-21)32(30-20-34-9-12-41-30)36-24-6-8-29-23(16-24)15-22-3-2-4-26(33(22)42-29)28-17-25(18-31(39)37-28)38-10-13-40-14-11-38/h2-8,16-19,30,32,34,36H,9-15,20H2,1H3,(H,37,39).

What are the key properties of 6-[7-[[(5-methyl-2-pyridinyl)-morpholin-2-ylmethyl]amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one?

6-[7-[[(5-methyl-2-pyridinyl)-morpholin-2-ylmethyl]amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one has a molecular weight of 565.67 g/mol, XLogP of 4.42, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[7-[[(5-methyl-2-pyridinyl)-morpholin-2-ylmethyl]amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one is sourced from PubChem (CID 121393804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).