1-[1-acetyl-4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperazin-2-yl]ethanone;2-amino-1-[4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]-2-methylpiperazin-1-yl]ethanone;4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]-1-(2-oxopropyl)piperazine-2-carbonitrile;1-[4-[6-chloro-7-[2-(trifluoromethyl)phenyl]quinazolin-4-yl]piperazin-1-yl]propan-1-one

C87H80Cl7F3N18O5 — CID 157478171

About 1-[1-acetyl-4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperazin-2-yl]ethanone;2-amino-1-[4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]-2-methylpiperazin-1-yl]ethanone;4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]-1-(2-oxopropyl)piperazine-2-carbonitrile;1-[4-[6-chloro-7-[2-(trifluoromethyl)phenyl]quinazolin-4-yl]piperazin-1-yl]propan-1-one

1-[1-acetyl-4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperazin-2-yl]ethanone;2-amino-1-[4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]-2-methylpiperazin-1-yl]ethanone;4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]-1-(2-oxopropyl)piperazine-2-carbonitrile;1-[4-[6-chloro-7-[2-(trifluoromethyl)phenyl]quinazolin-4-yl]piperazin-1-yl]propan-1-one (PubChem CID 157478171) has the molecular formula C87H80Cl7F3N18O5 and a molecular weight of 1762.88 g/mol. Its IUPAC name is 1-[1-acetyl-4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperazin-2-yl]ethanone;2-amino-1-[4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]-2-methylpiperazin-1-yl]ethanone;4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]-1-(2-oxopropyl)piperazine-2-carbonitrile;1-[4-[6-chloro-7-[2-(trifluoromethyl)phenyl]quinazolin-4-yl]piperazin-1-yl]propan-1-one.

Molecular Properties

• Compound Name: 1-[1-acetyl-4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperazin-2-yl]ethanone;2-amino-1-[4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]-2-methylpiperazin-1-yl]ethanone;4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]-1-(2-oxopropyl)piperazine-2-carbonitrile;1-[4-[6-chloro-7-[2-(trifluoromethyl)phenyl]quinazolin-4-yl]piperazin-1-yl]propan-1-one
• PubChem CID: 157478171
• Molecular Formula: C87H80Cl7F3N18O5
• Molecular Weight: 1762.88 g/mol
• Exact Mass: 1758.43
• IUPAC Name: 1-[1-acetyl-4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperazin-2-yl]ethanone;2-amino-1-[4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]-2-methylpiperazin-1-yl]ethanone;4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]-1-(2-oxopropyl)piperazine-2-carbonitrile;1-[4-[6-chloro-7-[2-(trifluoromethyl)phenyl]quinazolin-4-yl]piperazin-1-yl]propan-1-one
• SMILES: CC(=O)C1CN(c2ncnc3cc(Cl)c(-c4ccc(Cl)cc4)cc23)CCN1C(C)=O.CC(=O)CN1CCN(c2ncnc3cc(Cl)c(-c4ccc(Cl)cc4)cc23)CC1C#N.CC1CN(c2ncnc3cc(Cl)c(-c4ccc(Cl)cc4)cc23)CCN1C(=O)CN.CCC(=O)N1CCN(c2ncnc3cc(-c4ccccc4C(F)(F)F)c(Cl)cc23)CC1
• InChI: InChI=1S/C22H19Cl2N5O.C22H20Cl2N4O2.C22H20ClF3N4O.C21H21Cl2N5O/c1-14(30)11-28-6-7-29(12-17(28)10-25)22-19-8-18(15-2-4-16(23)5-3-15)20(24)9-21(19)26-13-27-22;1-13(29)21-11-27(7-8-28(21)14(2)30)22-18-9-17(15-3-5-16(23)6-4-15)19(24)10-20(18)25-12-26-22;1-2-20(31)29-7-9-30(10-8-29)21-16-11-18(23)15(12-19(16)27-13-28-21)14-5-3-4-6-17(14)22(24,25)26;1-13-11-27(6-7-28(13)20(29)10-24)21-17-8-16(14-2-4-15(22)5-3-14)18(23)9-19(17)25-12-26-21/h2-5,8-9,13,17H,6-7,11-12H2,1H3;3-6,9-10,12,21H,7-8,11H2,1-2H3;3-6,11-13H,2,7-10H2,1H3;2-5,8-9,12-13H,6-7,10-11,24H2,1H3
• InChIKey: BVVNJRMYXDJKEK-UHFFFAOYSA-N
• XLogP: 17.06
• TPSA: 264.20 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 20
• Rotatable Bonds: 13
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1762.88
LogP ≤ 5	17.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 1-[1-acetyl-4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperazin-2-yl]ethanone;2-amino-1-[4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]-2-methylpiperazin-1-yl]ethanone;4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]-1-(2-oxopropyl)piperazine-2-carbonitrile;1-[4-[6-chloro-7-[2-(trifluoromethyl)phenyl]quinazolin-4-yl]piperazin-1-yl]propan-1-one?

The IUPAC name of 1-[1-acetyl-4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperazin-2-yl]ethanone;2-amino-1-[4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]-2-methylpiperazin-1-yl]ethanone;4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]-1-(2-oxopropyl)piperazine-2-carbonitrile;1-[4-[6-chloro-7-[2-(trifluoromethyl)phenyl]quinazolin-4-yl]piperazin-1-yl]propan-1-one (CID 157478171) is 1-[1-acetyl-4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperazin-2-yl]ethanone;2-amino-1-[4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]-2-methylpiperazin-1-yl]ethanone;4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]-1-(2-oxopropyl)piperazine-2-carbonitrile;1-[4-[6-chloro-7-[2-(trifluoromethyl)phenyl]quinazolin-4-yl]piperazin-1-yl]propan-1-one.

What is the SMILES notation for 1-[1-acetyl-4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperazin-2-yl]ethanone;2-amino-1-[4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]-2-methylpiperazin-1-yl]ethanone;4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]-1-(2-oxopropyl)piperazine-2-carbonitrile;1-[4-[6-chloro-7-[2-(trifluoromethyl)phenyl]quinazolin-4-yl]piperazin-1-yl]propan-1-one?

The canonical SMILES for 1-[1-acetyl-4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperazin-2-yl]ethanone;2-amino-1-[4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]-2-methylpiperazin-1-yl]ethanone;4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]-1-(2-oxopropyl)piperazine-2-carbonitrile;1-[4-[6-chloro-7-[2-(trifluoromethyl)phenyl]quinazolin-4-yl]piperazin-1-yl]propan-1-one is CC(=O)C1CN(c2ncnc3cc(Cl)c(-c4ccc(Cl)cc4)cc23)CCN1C(C)=O.CC(=O)CN1CCN(c2ncnc3cc(Cl)c(-c4ccc(Cl)cc4)cc23)CC1C#N.CC1CN(c2ncnc3cc(Cl)c(-c4ccc(Cl)cc4)cc23)CCN1C(=O)CN.CCC(=O)N1CCN(c2ncnc3cc(-c4ccccc4C(F)(F)F)c(Cl)cc23)CC1.

What is the InChIKey of 1-[1-acetyl-4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperazin-2-yl]ethanone;2-amino-1-[4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]-2-methylpiperazin-1-yl]ethanone;4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]-1-(2-oxopropyl)piperazine-2-carbonitrile;1-[4-[6-chloro-7-[2-(trifluoromethyl)phenyl]quinazolin-4-yl]piperazin-1-yl]propan-1-one?

The InChIKey is BVVNJRMYXDJKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19Cl2N5O.C22H20Cl2N4O2.C22H20ClF3N4O.C21H21Cl2N5O/c1-14(30)11-28-6-7-29(12-17(28)10-25)22-19-8-18(15-2-4-16(23)5-3-15)20(24)9-21(19)26-13-27-22;1-13(29)21-11-27(7-8-28(21)14(2)30)22-18-9-17(15-3-5-16(23)6-4-15)19(24)10-20(18)25-12-26-22;1-2-20(31)29-7-9-30(10-8-29)21-16-11-18(23)15(12-19(16)27-13-28-21)14-5-3-4-6-17(14)22(24,25)26;1-13-11-27(6-7-28(13)20(29)10-24)21-17-8-16(14-2-4-15(22)5-3-14)18(23)9-19(17)25-12-26-21/h2-5,8-9,13,17H,6-7,11-12H2,1H3;3-6,9-10,12,21H,7-8,11H2,1-2H3;3-6,11-13H,2,7-10H2,1H3;2-5,8-9,12-13H,6-7,10-11,24H2,1H3.

What are the key properties of 1-[1-acetyl-4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperazin-2-yl]ethanone;2-amino-1-[4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]-2-methylpiperazin-1-yl]ethanone;4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]-1-(2-oxopropyl)piperazine-2-carbonitrile;1-[4-[6-chloro-7-[2-(trifluoromethyl)phenyl]quinazolin-4-yl]piperazin-1-yl]propan-1-one?

1-[1-acetyl-4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperazin-2-yl]ethanone;2-amino-1-[4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]-2-methylpiperazin-1-yl]ethanone;4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]-1-(2-oxopropyl)piperazine-2-carbonitrile;1-[4-[6-chloro-7-[2-(trifluoromethyl)phenyl]quinazolin-4-yl]piperazin-1-yl]propan-1-one has a molecular weight of 1762.88 g/mol, XLogP of 17.06, 13 rotatable bonds, 1 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-acetyl-4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperazin-2-yl]ethanone;2-amino-1-[4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]-2-methylpiperazin-1-yl]ethanone;4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]-1-(2-oxopropyl)piperazine-2-carbonitrile;1-[4-[6-chloro-7-[2-(trifluoromethyl)phenyl]quinazolin-4-yl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 157478171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).