2-[4-[3-methyl-8-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-oxoimidazo[4,5-c]quinolin-1-yl]phenyl]propanenitrile

C30H29N7O — CID 66895614

About 2-[4-[3-methyl-8-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-oxoimidazo[4,5-c]quinolin-1-yl]phenyl]propanenitrile

2-[4-[3-methyl-8-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-oxoimidazo[4,5-c]quinolin-1-yl]phenyl]propanenitrile (PubChem CID 66895614) has the molecular formula C30H29N7O and a molecular weight of 503.61 g/mol. Its IUPAC name is 2-[4-[3-methyl-8-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-oxoimidazo[4,5-c]quinolin-1-yl]phenyl]propanenitrile.

Molecular Properties

• Compound Name: 2-[4-[3-methyl-8-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-oxoimidazo[4,5-c]quinolin-1-yl]phenyl]propanenitrile
• PubChem CID: 66895614
• Molecular Formula: C30H29N7O
• Molecular Weight: 503.61 g/mol
• Exact Mass: 503.24
• IUPAC Name: 2-[4-[3-methyl-8-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-oxoimidazo[4,5-c]quinolin-1-yl]phenyl]propanenitrile
• SMILES: CC(C#N)c1ccc(-n2c(=O)n(C)c3cnc4ccc(-c5ccnc(N6CCN(C)CC6)c5)cc4c32)cc1
• InChI: InChI=1S/C30H29N7O/c1-20(18-31)21-4-7-24(8-5-21)37-29-25-16-22(6-9-26(25)33-19-27(29)35(3)30(37)38)23-10-11-32-28(17-23)36-14-12-34(2)13-15-36/h4-11,16-17,19-20H,12-15H2,1-3H3
• InChIKey: IQIMZIQYGWWGAO-UHFFFAOYSA-N
• XLogP: 4.32
• TPSA: 82.98 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	503.61
LogP ≤ 5	4.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-methyl-8-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-oxoimidazo[4,5-c]quinolin-1-yl]phenyl]propanenitrile?

The IUPAC name of 2-[4-[3-methyl-8-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-oxoimidazo[4,5-c]quinolin-1-yl]phenyl]propanenitrile (CID 66895614) is 2-[4-[3-methyl-8-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-oxoimidazo[4,5-c]quinolin-1-yl]phenyl]propanenitrile.

What is the SMILES notation for 2-[4-[3-methyl-8-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-oxoimidazo[4,5-c]quinolin-1-yl]phenyl]propanenitrile?

The canonical SMILES for 2-[4-[3-methyl-8-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-oxoimidazo[4,5-c]quinolin-1-yl]phenyl]propanenitrile is CC(C#N)c1ccc(-n2c(=O)n(C)c3cnc4ccc(-c5ccnc(N6CCN(C)CC6)c5)cc4c32)cc1.

What is the InChIKey of 2-[4-[3-methyl-8-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-oxoimidazo[4,5-c]quinolin-1-yl]phenyl]propanenitrile?

The InChIKey is IQIMZIQYGWWGAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N7O/c1-20(18-31)21-4-7-24(8-5-21)37-29-25-16-22(6-9-26(25)33-19-27(29)35(3)30(37)38)23-10-11-32-28(17-23)36-14-12-34(2)13-15-36/h4-11,16-17,19-20H,12-15H2,1-3H3.

What are the key properties of 2-[4-[3-methyl-8-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-oxoimidazo[4,5-c]quinolin-1-yl]phenyl]propanenitrile?

2-[4-[3-methyl-8-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-oxoimidazo[4,5-c]quinolin-1-yl]phenyl]propanenitrile has a molecular weight of 503.61 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[3-methyl-8-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-oxoimidazo[4,5-c]quinolin-1-yl]phenyl]propanenitrile is sourced from PubChem (CID 66895614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).