2-[1-(4-acetylpiperazin-1-yl)ethyl]-3-(2-ethoxyphenyl)quinazolin-4-one;2-(4-chlorophenoxy)-1-[4-[1-[3-(2-hydroxyphenyl)-4H-quinazolin-2-yl]ethyl]piperazin-1-yl]ethanone;2-(4-chlorophenoxy)-1-[4-[1-[3-(2-methoxyphenyl)-4H-quinazolin-2-yl]ethyl]piperazin-1-yl]ethanone

C81H88Cl2N12O9 — CID 160740494

About 2-[1-(4-acetylpiperazin-1-yl)ethyl]-3-(2-ethoxyphenyl)quinazolin-4-one;2-(4-chlorophenoxy)-1-[4-[1-[3-(2-hydroxyphenyl)-4H-quinazolin-2-yl]ethyl]piperazin-1-yl]ethanone;2-(4-chlorophenoxy)-1-[4-[1-[3-(2-methoxyphenyl)-4H-quinazolin-2-yl]ethyl]piperazin-1-yl]ethanone

2-[1-(4-acetylpiperazin-1-yl)ethyl]-3-(2-ethoxyphenyl)quinazolin-4-one;2-(4-chlorophenoxy)-1-[4-[1-[3-(2-hydroxyphenyl)-4H-quinazolin-2-yl]ethyl]piperazin-1-yl]ethanone;2-(4-chlorophenoxy)-1-[4-[1-[3-(2-methoxyphenyl)-4H-quinazolin-2-yl]ethyl]piperazin-1-yl]ethanone (PubChem CID 160740494) has the molecular formula C81H88Cl2N12O9 and a molecular weight of 1444.58 g/mol. Its IUPAC name is 2-[1-(4-acetylpiperazin-1-yl)ethyl]-3-(2-ethoxyphenyl)quinazolin-4-one;2-(4-chlorophenoxy)-1-[4-[1-[3-(2-hydroxyphenyl)-4H-quinazolin-2-yl]ethyl]piperazin-1-yl]ethanone;2-(4-chlorophenoxy)-1-[4-[1-[3-(2-methoxyphenyl)-4H-quinazolin-2-yl]ethyl]piperazin-1-yl]ethanone.

Molecular Properties

• Compound Name: 2-[1-(4-acetylpiperazin-1-yl)ethyl]-3-(2-ethoxyphenyl)quinazolin-4-one;2-(4-chlorophenoxy)-1-[4-[1-[3-(2-hydroxyphenyl)-4H-quinazolin-2-yl]ethyl]piperazin-1-yl]ethanone;2-(4-chlorophenoxy)-1-[4-[1-[3-(2-methoxyphenyl)-4H-quinazolin-2-yl]ethyl]piperazin-1-yl]ethanone
• PubChem CID: 160740494
• Molecular Formula: C81H88Cl2N12O9
• Molecular Weight: 1444.58 g/mol
• Exact Mass: 1442.62
• IUPAC Name: 2-[1-(4-acetylpiperazin-1-yl)ethyl]-3-(2-ethoxyphenyl)quinazolin-4-one;2-(4-chlorophenoxy)-1-[4-[1-[3-(2-hydroxyphenyl)-4H-quinazolin-2-yl]ethyl]piperazin-1-yl]ethanone;2-(4-chlorophenoxy)-1-[4-[1-[3-(2-methoxyphenyl)-4H-quinazolin-2-yl]ethyl]piperazin-1-yl]ethanone
• SMILES: CC(C1=Nc2ccccc2CN1c1ccccc1O)N1CCN(C(=O)COc2ccc(Cl)cc2)CC1.CCOc1ccccc1-n1c(C(C)N2CCN(C(C)=O)CC2)nc2ccccc2c1=O.COc1ccccc1N1Cc2ccccc2N=C1C(C)N1CCN(C(=O)COc2ccc(Cl)cc2)CC1
• InChI: InChI=1S/C29H31ClN4O3.C28H29ClN4O3.C24H28N4O3/c1-21(32-15-17-33(18-16-32)28(35)20-37-24-13-11-23(30)12-14-24)29-31-25-8-4-3-7-22(25)19-34(29)26-9-5-6-10-27(26)36-2;1-20(31-14-16-32(17-15-31)27(35)19-36-23-12-10-22(29)11-13-23)28-30-24-7-3-2-6-21(24)18-33(28)25-8-4-5-9-26(25)34;1-4-31-22-12-8-7-11-21(22)28-23(25-20-10-6-5-9-19(20)24(28)30)17(2)26-13-15-27(16-14-26)18(3)29/h3-14,21H,15-20H2,1-2H3;2-13,20,34H,14-19H2,1H3;5-12,17H,4,13-16H2,1-3H3
• InChIKey: RVMZIBZXVSMHRE-UHFFFAOYSA-N
• XLogP: 12.73
• TPSA: 193.89 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 18
• Rotatable Bonds: 18
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1444.58
LogP ≤ 5	12.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-acetylpiperazin-1-yl)ethyl]-3-(2-ethoxyphenyl)quinazolin-4-one;2-(4-chlorophenoxy)-1-[4-[1-[3-(2-hydroxyphenyl)-4H-quinazolin-2-yl]ethyl]piperazin-1-yl]ethanone;2-(4-chlorophenoxy)-1-[4-[1-[3-(2-methoxyphenyl)-4H-quinazolin-2-yl]ethyl]piperazin-1-yl]ethanone?

The IUPAC name of 2-[1-(4-acetylpiperazin-1-yl)ethyl]-3-(2-ethoxyphenyl)quinazolin-4-one;2-(4-chlorophenoxy)-1-[4-[1-[3-(2-hydroxyphenyl)-4H-quinazolin-2-yl]ethyl]piperazin-1-yl]ethanone;2-(4-chlorophenoxy)-1-[4-[1-[3-(2-methoxyphenyl)-4H-quinazolin-2-yl]ethyl]piperazin-1-yl]ethanone (CID 160740494) is 2-[1-(4-acetylpiperazin-1-yl)ethyl]-3-(2-ethoxyphenyl)quinazolin-4-one;2-(4-chlorophenoxy)-1-[4-[1-[3-(2-hydroxyphenyl)-4H-quinazolin-2-yl]ethyl]piperazin-1-yl]ethanone;2-(4-chlorophenoxy)-1-[4-[1-[3-(2-methoxyphenyl)-4H-quinazolin-2-yl]ethyl]piperazin-1-yl]ethanone.

What is the SMILES notation for 2-[1-(4-acetylpiperazin-1-yl)ethyl]-3-(2-ethoxyphenyl)quinazolin-4-one;2-(4-chlorophenoxy)-1-[4-[1-[3-(2-hydroxyphenyl)-4H-quinazolin-2-yl]ethyl]piperazin-1-yl]ethanone;2-(4-chlorophenoxy)-1-[4-[1-[3-(2-methoxyphenyl)-4H-quinazolin-2-yl]ethyl]piperazin-1-yl]ethanone?

The canonical SMILES for 2-[1-(4-acetylpiperazin-1-yl)ethyl]-3-(2-ethoxyphenyl)quinazolin-4-one;2-(4-chlorophenoxy)-1-[4-[1-[3-(2-hydroxyphenyl)-4H-quinazolin-2-yl]ethyl]piperazin-1-yl]ethanone;2-(4-chlorophenoxy)-1-[4-[1-[3-(2-methoxyphenyl)-4H-quinazolin-2-yl]ethyl]piperazin-1-yl]ethanone is CC(C1=Nc2ccccc2CN1c1ccccc1O)N1CCN(C(=O)COc2ccc(Cl)cc2)CC1.CCOc1ccccc1-n1c(C(C)N2CCN(C(C)=O)CC2)nc2ccccc2c1=O.COc1ccccc1N1Cc2ccccc2N=C1C(C)N1CCN(C(=O)COc2ccc(Cl)cc2)CC1.

What is the InChIKey of 2-[1-(4-acetylpiperazin-1-yl)ethyl]-3-(2-ethoxyphenyl)quinazolin-4-one;2-(4-chlorophenoxy)-1-[4-[1-[3-(2-hydroxyphenyl)-4H-quinazolin-2-yl]ethyl]piperazin-1-yl]ethanone;2-(4-chlorophenoxy)-1-[4-[1-[3-(2-methoxyphenyl)-4H-quinazolin-2-yl]ethyl]piperazin-1-yl]ethanone?

The InChIKey is RVMZIBZXVSMHRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31ClN4O3.C28H29ClN4O3.C24H28N4O3/c1-21(32-15-17-33(18-16-32)28(35)20-37-24-13-11-23(30)12-14-24)29-31-25-8-4-3-7-22(25)19-34(29)26-9-5-6-10-27(26)36-2;1-20(31-14-16-32(17-15-31)27(35)19-36-23-12-10-22(29)11-13-23)28-30-24-7-3-2-6-21(24)18-33(28)25-8-4-5-9-26(25)34;1-4-31-22-12-8-7-11-21(22)28-23(25-20-10-6-5-9-19(20)24(28)30)17(2)26-13-15-27(16-14-26)18(3)29/h3-14,21H,15-20H2,1-2H3;2-13,20,34H,14-19H2,1H3;5-12,17H,4,13-16H2,1-3H3.

What are the key properties of 2-[1-(4-acetylpiperazin-1-yl)ethyl]-3-(2-ethoxyphenyl)quinazolin-4-one;2-(4-chlorophenoxy)-1-[4-[1-[3-(2-hydroxyphenyl)-4H-quinazolin-2-yl]ethyl]piperazin-1-yl]ethanone;2-(4-chlorophenoxy)-1-[4-[1-[3-(2-methoxyphenyl)-4H-quinazolin-2-yl]ethyl]piperazin-1-yl]ethanone?

2-[1-(4-acetylpiperazin-1-yl)ethyl]-3-(2-ethoxyphenyl)quinazolin-4-one;2-(4-chlorophenoxy)-1-[4-[1-[3-(2-hydroxyphenyl)-4H-quinazolin-2-yl]ethyl]piperazin-1-yl]ethanone;2-(4-chlorophenoxy)-1-[4-[1-[3-(2-methoxyphenyl)-4H-quinazolin-2-yl]ethyl]piperazin-1-yl]ethanone has a molecular weight of 1444.58 g/mol, XLogP of 12.73, 18 rotatable bonds, 1 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-(4-acetylpiperazin-1-yl)ethyl]-3-(2-ethoxyphenyl)quinazolin-4-one;2-(4-chlorophenoxy)-1-[4-[1-[3-(2-hydroxyphenyl)-4H-quinazolin-2-yl]ethyl]piperazin-1-yl]ethanone;2-(4-chlorophenoxy)-1-[4-[1-[3-(2-methoxyphenyl)-4H-quinazolin-2-yl]ethyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 160740494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).