4-[(3-acetyl-5-chloro-1H-indol-2-yl)methyl]-1-[(4-aminoquinazolin-7-yl)methyl]piperazin-2-one

C24H23ClN6O2 — CID 67014204

About 4-[(3-acetyl-5-chloro-1H-indol-2-yl)methyl]-1-[(4-aminoquinazolin-7-yl)methyl]piperazin-2-one

4-[(3-acetyl-5-chloro-1H-indol-2-yl)methyl]-1-[(4-aminoquinazolin-7-yl)methyl]piperazin-2-one (PubChem CID 67014204) has the molecular formula C24H23ClN6O2 and a molecular weight of 462.94 g/mol. Its IUPAC name is 4-[(3-acetyl-5-chloro-1H-indol-2-yl)methyl]-1-[(4-aminoquinazolin-7-yl)methyl]piperazin-2-one.

Molecular Properties

• Compound Name: 4-[(3-acetyl-5-chloro-1H-indol-2-yl)methyl]-1-[(4-aminoquinazolin-7-yl)methyl]piperazin-2-one
• PubChem CID: 67014204
• Molecular Formula: C24H23ClN6O2
• Molecular Weight: 462.94 g/mol
• Exact Mass: 462.16
• IUPAC Name: 4-[(3-acetyl-5-chloro-1H-indol-2-yl)methyl]-1-[(4-aminoquinazolin-7-yl)methyl]piperazin-2-one
• SMILES: CC(=O)c1c(CN2CCN(Cc3ccc4c(N)ncnc4c3)C(=O)C2)[nH]c2ccc(Cl)cc12
• InChI: InChI=1S/C24H23ClN6O2/c1-14(32)23-18-9-16(25)3-5-19(18)29-21(23)11-30-6-7-31(22(33)12-30)10-15-2-4-17-20(8-15)27-13-28-24(17)26/h2-5,8-9,13,29H,6-7,10-12H2,1H3,(H2,26,27,28)
• InChIKey: YGFJXYQOBMLQJE-UHFFFAOYSA-N
• XLogP: 3.39
• TPSA: 108.21 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	462.94
LogP ≤ 5	3.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[(3-acetyl-5-chloro-1H-indol-2-yl)methyl]-1-[(4-aminoquinazolin-7-yl)methyl]piperazin-2-one?

The IUPAC name of 4-[(3-acetyl-5-chloro-1H-indol-2-yl)methyl]-1-[(4-aminoquinazolin-7-yl)methyl]piperazin-2-one (CID 67014204) is 4-[(3-acetyl-5-chloro-1H-indol-2-yl)methyl]-1-[(4-aminoquinazolin-7-yl)methyl]piperazin-2-one.

What is the SMILES notation for 4-[(3-acetyl-5-chloro-1H-indol-2-yl)methyl]-1-[(4-aminoquinazolin-7-yl)methyl]piperazin-2-one?

The canonical SMILES for 4-[(3-acetyl-5-chloro-1H-indol-2-yl)methyl]-1-[(4-aminoquinazolin-7-yl)methyl]piperazin-2-one is CC(=O)c1c(CN2CCN(Cc3ccc4c(N)ncnc4c3)C(=O)C2)[nH]c2ccc(Cl)cc12.

What is the InChIKey of 4-[(3-acetyl-5-chloro-1H-indol-2-yl)methyl]-1-[(4-aminoquinazolin-7-yl)methyl]piperazin-2-one?

The InChIKey is YGFJXYQOBMLQJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN6O2/c1-14(32)23-18-9-16(25)3-5-19(18)29-21(23)11-30-6-7-31(22(33)12-30)10-15-2-4-17-20(8-15)27-13-28-24(17)26/h2-5,8-9,13,29H,6-7,10-12H2,1H3,(H2,26,27,28).

What are the key properties of 4-[(3-acetyl-5-chloro-1H-indol-2-yl)methyl]-1-[(4-aminoquinazolin-7-yl)methyl]piperazin-2-one?

4-[(3-acetyl-5-chloro-1H-indol-2-yl)methyl]-1-[(4-aminoquinazolin-7-yl)methyl]piperazin-2-one has a molecular weight of 462.94 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(3-acetyl-5-chloro-1H-indol-2-yl)methyl]-1-[(4-aminoquinazolin-7-yl)methyl]piperazin-2-one is sourced from PubChem (CID 67014204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).