8-[2-methyl-6-[[4-[(8R)-8-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-3-yl]piperazin-1-yl]methyl]morpholin-4-yl]quinoxaline-5-carbonitrile

C28H34N8O — CID 146275941

About 8-[2-methyl-6-[[4-[(8R)-8-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-3-yl]piperazin-1-yl]methyl]morpholin-4-yl]quinoxaline-5-carbonitrile

8-[2-methyl-6-[[4-[(8R)-8-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-3-yl]piperazin-1-yl]methyl]morpholin-4-yl]quinoxaline-5-carbonitrile (PubChem CID 146275941) has the molecular formula C28H34N8O and a molecular weight of 498.64 g/mol. Its IUPAC name is 8-[2-methyl-6-[[4-[(8R)-8-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-3-yl]piperazin-1-yl]methyl]morpholin-4-yl]quinoxaline-5-carbonitrile.

Molecular Properties

• Compound Name: 8-[2-methyl-6-[[4-[(8R)-8-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-3-yl]piperazin-1-yl]methyl]morpholin-4-yl]quinoxaline-5-carbonitrile
• PubChem CID: 146275941
• Molecular Formula: C28H34N8O
• Molecular Weight: 498.64 g/mol
• Exact Mass: 498.29
• IUPAC Name: 8-[2-methyl-6-[[4-[(8R)-8-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-3-yl]piperazin-1-yl]methyl]morpholin-4-yl]quinoxaline-5-carbonitrile
• SMILES: CC1CN(c2ccc(C#N)c3nccnc23)CC(CN2CCN(c3cc4c(cn3)[C@@H](C)NCC4)CC2)O1
• InChI: InChI=1S/C28H34N8O/c1-19-16-36(25-4-3-22(14-29)27-28(25)32-8-7-31-27)18-23(37-19)17-34-9-11-35(12-10-34)26-13-21-5-6-30-20(2)24(21)15-33-26/h3-4,7-8,13,15,19-20,23,30H,5-6,9-12,16-18H2,1-2H3/t19?,20-,23?/m1/s1
• InChIKey: ZXUNFRCRZXHWQX-LRZVDXDASA-N
• XLogP: 2.52
• TPSA: 93.44 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	498.64
LogP ≤ 5	2.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 8-[2-methyl-6-[[4-[(8R)-8-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-3-yl]piperazin-1-yl]methyl]morpholin-4-yl]quinoxaline-5-carbonitrile?

The IUPAC name of 8-[2-methyl-6-[[4-[(8R)-8-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-3-yl]piperazin-1-yl]methyl]morpholin-4-yl]quinoxaline-5-carbonitrile (CID 146275941) is 8-[2-methyl-6-[[4-[(8R)-8-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-3-yl]piperazin-1-yl]methyl]morpholin-4-yl]quinoxaline-5-carbonitrile.

What is the SMILES notation for 8-[2-methyl-6-[[4-[(8R)-8-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-3-yl]piperazin-1-yl]methyl]morpholin-4-yl]quinoxaline-5-carbonitrile?

The canonical SMILES for 8-[2-methyl-6-[[4-[(8R)-8-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-3-yl]piperazin-1-yl]methyl]morpholin-4-yl]quinoxaline-5-carbonitrile is CC1CN(c2ccc(C#N)c3nccnc23)CC(CN2CCN(c3cc4c(cn3)[C@@H](C)NCC4)CC2)O1.

What is the InChIKey of 8-[2-methyl-6-[[4-[(8R)-8-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-3-yl]piperazin-1-yl]methyl]morpholin-4-yl]quinoxaline-5-carbonitrile?

The InChIKey is ZXUNFRCRZXHWQX-LRZVDXDASA-N. The full InChI is InChI=1S/C28H34N8O/c1-19-16-36(25-4-3-22(14-29)27-28(25)32-8-7-31-27)18-23(37-19)17-34-9-11-35(12-10-34)26-13-21-5-6-30-20(2)24(21)15-33-26/h3-4,7-8,13,15,19-20,23,30H,5-6,9-12,16-18H2,1-2H3/t19?,20-,23?/m1/s1.

What are the key properties of 8-[2-methyl-6-[[4-[(8R)-8-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-3-yl]piperazin-1-yl]methyl]morpholin-4-yl]quinoxaline-5-carbonitrile?

8-[2-methyl-6-[[4-[(8R)-8-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-3-yl]piperazin-1-yl]methyl]morpholin-4-yl]quinoxaline-5-carbonitrile has a molecular weight of 498.64 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[2-methyl-6-[[4-[(8R)-8-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-3-yl]piperazin-1-yl]methyl]morpholin-4-yl]quinoxaline-5-carbonitrile is sourced from PubChem (CID 146275941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).