3-ethyl-8-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methylamino]-1H-imidazo[4,5-g]quinazolin-2-one

C25H31N7O2 — CID 67693939

About 3-ethyl-8-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methylamino]-1H-imidazo[4,5-g]quinazolin-2-one

3-ethyl-8-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methylamino]-1H-imidazo[4,5-g]quinazolin-2-one (PubChem CID 67693939) has the molecular formula C25H31N7O2 and a molecular weight of 461.57 g/mol. Its IUPAC name is 3-ethyl-8-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methylamino]-1H-imidazo[4,5-g]quinazolin-2-one.

Molecular Properties

• Compound Name: 3-ethyl-8-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methylamino]-1H-imidazo[4,5-g]quinazolin-2-one
• PubChem CID: 67693939
• Molecular Formula: C25H31N7O2
• Molecular Weight: 461.57 g/mol
• Exact Mass: 461.25
• IUPAC Name: 3-ethyl-8-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methylamino]-1H-imidazo[4,5-g]quinazolin-2-one
• SMILES: CCn1c(=O)[nH]c2cc3c(NCc4ccccc4OCCN4CCN(C)CC4)ncnc3cc21
• InChI: InChI=1S/C25H31N7O2/c1-3-32-22-15-20-19(14-21(22)29-25(32)33)24(28-17-27-20)26-16-18-6-4-5-7-23(18)34-13-12-31-10-8-30(2)9-11-31/h4-7,14-15,17H,3,8-13,16H2,1-2H3,(H,29,33)(H,26,27,28)
• InChIKey: UUUOYXMHKHBJAW-UHFFFAOYSA-N
• XLogP: 2.53
• TPSA: 91.31 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	461.57
LogP ≤ 5	2.53
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-8-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methylamino]-1H-imidazo[4,5-g]quinazolin-2-one?

The IUPAC name of 3-ethyl-8-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methylamino]-1H-imidazo[4,5-g]quinazolin-2-one (CID 67693939) is 3-ethyl-8-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methylamino]-1H-imidazo[4,5-g]quinazolin-2-one.

What is the SMILES notation for 3-ethyl-8-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methylamino]-1H-imidazo[4,5-g]quinazolin-2-one?

The canonical SMILES for 3-ethyl-8-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methylamino]-1H-imidazo[4,5-g]quinazolin-2-one is CCn1c(=O)[nH]c2cc3c(NCc4ccccc4OCCN4CCN(C)CC4)ncnc3cc21.

What is the InChIKey of 3-ethyl-8-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methylamino]-1H-imidazo[4,5-g]quinazolin-2-one?

The InChIKey is UUUOYXMHKHBJAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N7O2/c1-3-32-22-15-20-19(14-21(22)29-25(32)33)24(28-17-27-20)26-16-18-6-4-5-7-23(18)34-13-12-31-10-8-30(2)9-11-31/h4-7,14-15,17H,3,8-13,16H2,1-2H3,(H,29,33)(H,26,27,28).

What are the key properties of 3-ethyl-8-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methylamino]-1H-imidazo[4,5-g]quinazolin-2-one?

3-ethyl-8-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methylamino]-1H-imidazo[4,5-g]quinazolin-2-one has a molecular weight of 461.57 g/mol, XLogP of 2.53, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-ethyl-8-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methylamino]-1H-imidazo[4,5-g]quinazolin-2-one is sourced from PubChem (CID 67693939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).