4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-[(E)-2-(7-oxo-8H-1,8-naphthyridin-3-yl)ethenyl]benzamide;4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-[2-(7-oxo-8H-1,8-naphthyridin-3-yl)ethynyl]benzamide;3-methyl-N-[4-methyl-3-[2-(7-oxo-8H-1,8-naphthyridin-3-yl)ethynyl]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide

C93H95N15O6 — CID 157228340

About 4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-[(E)-2-(7-oxo-8H-1,8-naphthyridin-3-yl)ethenyl]benzamide;4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-[2-(7-oxo-8H-1,8-naphthyridin-3-yl)ethynyl]benzamide;3-methyl-N-[4-methyl-3-[2-(7-oxo-8H-1,8-naphthyridin-3-yl)ethynyl]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide

4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-[(E)-2-(7-oxo-8H-1,8-naphthyridin-3-yl)ethenyl]benzamide;4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-[2-(7-oxo-8H-1,8-naphthyridin-3-yl)ethynyl]benzamide;3-methyl-N-[4-methyl-3-[2-(7-oxo-8H-1,8-naphthyridin-3-yl)ethynyl]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide (PubChem CID 157228340) has the molecular formula C93H95N15O6 and a molecular weight of 1518.88 g/mol. Its IUPAC name is 4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-[(E)-2-(7-oxo-8H-1,8-naphthyridin-3-yl)ethenyl]benzamide;4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-[2-(7-oxo-8H-1,8-naphthyridin-3-yl)ethynyl]benzamide;3-methyl-N-[4-methyl-3-[2-(7-oxo-8H-1,8-naphthyridin-3-yl)ethynyl]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide.

Molecular Properties

• Compound Name: 4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-[(E)-2-(7-oxo-8H-1,8-naphthyridin-3-yl)ethenyl]benzamide;4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-[2-(7-oxo-8H-1,8-naphthyridin-3-yl)ethynyl]benzamide;3-methyl-N-[4-methyl-3-[2-(7-oxo-8H-1,8-naphthyridin-3-yl)ethynyl]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide
• PubChem CID: 157228340
• Molecular Formula: C93H95N15O6
• Molecular Weight: 1518.88 g/mol
• Exact Mass: 1517.76
• IUPAC Name: 4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-[(E)-2-(7-oxo-8H-1,8-naphthyridin-3-yl)ethenyl]benzamide;4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-[2-(7-oxo-8H-1,8-naphthyridin-3-yl)ethynyl]benzamide;3-methyl-N-[4-methyl-3-[2-(7-oxo-8H-1,8-naphthyridin-3-yl)ethynyl]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide
• SMILES: Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C)c2)cc1/C=C/c1cnc2[nH]c(=O)ccc2c1.Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C)c2)cc1C#Cc1cnc2[nH]c(=O)ccc2c1.Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)c(C)c2)cc1C#Cc1cnc2[nH]c(=O)ccc2c1
• InChI: InChI=1S/C31H31N5O2.C31H33N5O2.C31H31N5O2/c1-21-4-10-28(18-24(21)6-5-23-17-25-9-11-29(37)34-30(25)32-19-23)33-31(38)26-7-8-27(22(2)16-26)20-36-14-12-35(3)13-15-36;2*1-21-4-6-26(18-24(21)7-5-23-17-25-9-11-29(37)34-30(25)32-19-23)31(38)33-28-10-8-27(22(2)16-28)20-36-14-12-35(3)13-15-36/h4,7-11,16-19H,12-15,20H2,1-3H3,(H,33,38)(H,32,34,37);4-11,16-19H,12-15,20H2,1-3H3,(H,33,38)(H,32,34,37);4,6,8-11,16-19H,12-15,20H2,1-3H3,(H,33,38)(H,32,34,37)/b;7-5+
• InChIKey: ATUUVJWVTNEBMV-QVSSGMAGSA-N
• XLogP: 12.59
• TPSA: 243.99 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 15
• Rotatable Bonds: 14
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1518.88
LogP ≤ 5	12.59
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-[(E)-2-(7-oxo-8H-1,8-naphthyridin-3-yl)ethenyl]benzamide;4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-[2-(7-oxo-8H-1,8-naphthyridin-3-yl)ethynyl]benzamide;3-methyl-N-[4-methyl-3-[2-(7-oxo-8H-1,8-naphthyridin-3-yl)ethynyl]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide?

The IUPAC name of 4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-[(E)-2-(7-oxo-8H-1,8-naphthyridin-3-yl)ethenyl]benzamide;4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-[2-(7-oxo-8H-1,8-naphthyridin-3-yl)ethynyl]benzamide;3-methyl-N-[4-methyl-3-[2-(7-oxo-8H-1,8-naphthyridin-3-yl)ethynyl]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide (CID 157228340) is 4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-[(E)-2-(7-oxo-8H-1,8-naphthyridin-3-yl)ethenyl]benzamide;4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-[2-(7-oxo-8H-1,8-naphthyridin-3-yl)ethynyl]benzamide;3-methyl-N-[4-methyl-3-[2-(7-oxo-8H-1,8-naphthyridin-3-yl)ethynyl]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide.

What is the SMILES notation for 4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-[(E)-2-(7-oxo-8H-1,8-naphthyridin-3-yl)ethenyl]benzamide;4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-[2-(7-oxo-8H-1,8-naphthyridin-3-yl)ethynyl]benzamide;3-methyl-N-[4-methyl-3-[2-(7-oxo-8H-1,8-naphthyridin-3-yl)ethynyl]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide?

The canonical SMILES for 4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-[(E)-2-(7-oxo-8H-1,8-naphthyridin-3-yl)ethenyl]benzamide;4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-[2-(7-oxo-8H-1,8-naphthyridin-3-yl)ethynyl]benzamide;3-methyl-N-[4-methyl-3-[2-(7-oxo-8H-1,8-naphthyridin-3-yl)ethynyl]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide is Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C)c2)cc1/C=C/c1cnc2[nH]c(=O)ccc2c1.Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C)c2)cc1C#Cc1cnc2[nH]c(=O)ccc2c1.Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)c(C)c2)cc1C#Cc1cnc2[nH]c(=O)ccc2c1.

What is the InChIKey of 4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-[(E)-2-(7-oxo-8H-1,8-naphthyridin-3-yl)ethenyl]benzamide;4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-[2-(7-oxo-8H-1,8-naphthyridin-3-yl)ethynyl]benzamide;3-methyl-N-[4-methyl-3-[2-(7-oxo-8H-1,8-naphthyridin-3-yl)ethynyl]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide?

The InChIKey is ATUUVJWVTNEBMV-QVSSGMAGSA-N. The full InChI is InChI=1S/C31H31N5O2.C31H33N5O2.C31H31N5O2/c1-21-4-10-28(18-24(21)6-5-23-17-25-9-11-29(37)34-30(25)32-19-23)33-31(38)26-7-8-27(22(2)16-26)20-36-14-12-35(3)13-15-36;2*1-21-4-6-26(18-24(21)7-5-23-17-25-9-11-29(37)34-30(25)32-19-23)31(38)33-28-10-8-27(22(2)16-28)20-36-14-12-35(3)13-15-36/h4,7-11,16-19H,12-15,20H2,1-3H3,(H,33,38)(H,32,34,37);4-11,16-19H,12-15,20H2,1-3H3,(H,33,38)(H,32,34,37);4,6,8-11,16-19H,12-15,20H2,1-3H3,(H,33,38)(H,32,34,37)/b;7-5+;.

What are the key properties of 4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-[(E)-2-(7-oxo-8H-1,8-naphthyridin-3-yl)ethenyl]benzamide;4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-[2-(7-oxo-8H-1,8-naphthyridin-3-yl)ethynyl]benzamide;3-methyl-N-[4-methyl-3-[2-(7-oxo-8H-1,8-naphthyridin-3-yl)ethynyl]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide?

4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-[(E)-2-(7-oxo-8H-1,8-naphthyridin-3-yl)ethenyl]benzamide;4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-[2-(7-oxo-8H-1,8-naphthyridin-3-yl)ethynyl]benzamide;3-methyl-N-[4-methyl-3-[2-(7-oxo-8H-1,8-naphthyridin-3-yl)ethynyl]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide has a molecular weight of 1518.88 g/mol, XLogP of 12.59, 14 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-[(E)-2-(7-oxo-8H-1,8-naphthyridin-3-yl)ethenyl]benzamide;4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-[2-(7-oxo-8H-1,8-naphthyridin-3-yl)ethynyl]benzamide;3-methyl-N-[4-methyl-3-[2-(7-oxo-8H-1,8-naphthyridin-3-yl)ethynyl]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide is sourced from PubChem (CID 157228340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).