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

C28H34N8O — CID 146276005

About 8-[2-methyl-6-[[4-[(6S)-6-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-[(6S)-6-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-3-yl]piperazin-1-yl]methyl]morpholin-4-yl]quinoxaline-5-carbonitrile (PubChem CID 146276005) has the molecular formula C28H34N8O and a molecular weight of 498.64 g/mol. Its IUPAC name is 8-[2-methyl-6-[[4-[(6S)-6-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-[(6S)-6-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-3-yl]piperazin-1-yl]methyl]morpholin-4-yl]quinoxaline-5-carbonitrile
• PubChem CID: 146276005
• Molecular Formula: C28H34N8O
• Molecular Weight: 498.64 g/mol
• Exact Mass: 498.29
• IUPAC Name: 8-[2-methyl-6-[[4-[(6S)-6-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)CN[C@@H](C)C4)CC2)O1
• InChI: InChI=1S/C28H34N8O/c1-19-11-22-12-26(33-15-23(22)14-32-19)35-9-7-34(8-10-35)17-24-18-36(16-20(2)37-24)25-4-3-21(13-29)27-28(25)31-6-5-30-27/h3-6,12,15,19-20,24,32H,7-11,14,16-18H2,1-2H3/t19-,20?,24?/m0/s1
• InChIKey: JFUWECVEHVFAJN-HDJSMCDHSA-N
• XLogP: 2.35
• 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	2.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 8-[2-methyl-6-[[4-[(6S)-6-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-[(6S)-6-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-3-yl]piperazin-1-yl]methyl]morpholin-4-yl]quinoxaline-5-carbonitrile (CID 146276005) is 8-[2-methyl-6-[[4-[(6S)-6-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-[(6S)-6-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-[(6S)-6-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)CN[C@@H](C)C4)CC2)O1.

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

The InChIKey is JFUWECVEHVFAJN-HDJSMCDHSA-N. The full InChI is InChI=1S/C28H34N8O/c1-19-11-22-12-26(33-15-23(22)14-32-19)35-9-7-34(8-10-35)17-24-18-36(16-20(2)37-24)25-4-3-21(13-29)27-28(25)31-6-5-30-27/h3-6,12,15,19-20,24,32H,7-11,14,16-18H2,1-2H3/t19-,20?,24?/m0/s1.

What are the key properties of 8-[2-methyl-6-[[4-[(6S)-6-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-[(6S)-6-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 2.35, 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-[(6S)-6-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 146276005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).