benzyl acetate;2-[1,4-bis(phenylmethoxycarbonyl)piperazin-2-yl]acetic acid;2-[1-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperidin-3-yl]acetamide;2-[4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetamide;dibenzyl 2-(2-amino-2-oxoethyl)piperazine-1,4-dicarboxylate;dibenzyl 2-(2-hydroxyethyl)piperazine-1,4-dicarboxylate;4,7-dichloro-6-(4-chlorophenyl)quinazoline;2-piperidin-3-ylacetamide;2-piperidin-3-ylethanol;prop-2-enoyl chloride

C150H165Cl8N21O24 — CID 159739740

About benzyl acetate;2-[1,4-bis(phenylmethoxycarbonyl)piperazin-2-yl]acetic acid;2-[1-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperidin-3-yl]acetamide;2-[4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetamide;dibenzyl 2-(2-amino-2-oxoethyl)piperazine-1,4-dicarboxylate;dibenzyl 2-(2-hydroxyethyl)piperazine-1,4-dicarboxylate;4,7-dichloro-6-(4-chlorophenyl)quinazoline;2-piperidin-3-ylacetamide;2-piperidin-3-ylethanol;prop-2-enoyl chloride

benzyl acetate;2-[1,4-bis(phenylmethoxycarbonyl)piperazin-2-yl]acetic acid;2-[1-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperidin-3-yl]acetamide;2-[4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetamide;dibenzyl 2-(2-amino-2-oxoethyl)piperazine-1,4-dicarboxylate;dibenzyl 2-(2-hydroxyethyl)piperazine-1,4-dicarboxylate;4,7-dichloro-6-(4-chlorophenyl)quinazoline;2-piperidin-3-ylacetamide;2-piperidin-3-ylethanol;prop-2-enoyl chloride (PubChem CID 159739740) has the molecular formula C150H165Cl8N21O24 and a molecular weight of 2929.72 g/mol. Its IUPAC name is benzyl acetate;2-[1,4-bis(phenylmethoxycarbonyl)piperazin-2-yl]acetic acid;2-[1-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperidin-3-yl]acetamide;2-[4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetamide;dibenzyl 2-(2-amino-2-oxoethyl)piperazine-1,4-dicarboxylate;dibenzyl 2-(2-hydroxyethyl)piperazine-1,4-dicarboxylate;4,7-dichloro-6-(4-chlorophenyl)quinazoline;2-piperidin-3-ylacetamide;2-piperidin-3-ylethanol;prop-2-enoyl chloride.

Molecular Properties

• Compound Name: benzyl acetate;2-[1,4-bis(phenylmethoxycarbonyl)piperazin-2-yl]acetic acid;2-[1-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperidin-3-yl]acetamide;2-[4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetamide;dibenzyl 2-(2-amino-2-oxoethyl)piperazine-1,4-dicarboxylate;dibenzyl 2-(2-hydroxyethyl)piperazine-1,4-dicarboxylate;4,7-dichloro-6-(4-chlorophenyl)quinazoline;2-piperidin-3-ylacetamide;2-piperidin-3-ylethanol;prop-2-enoyl chloride
• PubChem CID: 159739740
• Molecular Formula: C150H165Cl8N21O24
• Molecular Weight: 2929.72 g/mol
• Exact Mass: 2923.98
• IUPAC Name: benzyl acetate;2-[1,4-bis(phenylmethoxycarbonyl)piperazin-2-yl]acetic acid;2-[1-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperidin-3-yl]acetamide;2-[4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetamide;dibenzyl 2-(2-amino-2-oxoethyl)piperazine-1,4-dicarboxylate;dibenzyl 2-(2-hydroxyethyl)piperazine-1,4-dicarboxylate;4,7-dichloro-6-(4-chlorophenyl)quinazoline;2-piperidin-3-ylacetamide;2-piperidin-3-ylethanol;prop-2-enoyl chloride
• SMILES: C=CC(=O)Cl.C=CC(=O)N1CCN(c2ncnc3cc(Cl)c(-c4ccc(Cl)cc4)cc23)CC1CC(N)=O.CC(=O)OCc1ccccc1.Clc1ccc(-c2cc3c(Cl)ncnc3cc2Cl)cc1.NC(=O)CC1CCCN(c2ncnc3cc(Cl)c(-c4ccc(Cl)cc4)cc23)C1.NC(=O)CC1CCCNC1.NC(=O)CC1CN(C(=O)OCc2ccccc2)CCN1C(=O)OCc1ccccc1.O=C(O)CC1CN(C(=O)OCc2ccccc2)CCN1C(=O)OCc1ccccc1.O=C(OCc1ccccc1)N1CCN(C(=O)OCc2ccccc2)C(CCO)C1.OCCC1CCCNC1
• InChI: InChI=1S/C23H21Cl2N5O2.C22H25N3O5.C22H24N2O6.C22H26N2O5.C21H20Cl2N4O.C14H7Cl3N2.C9H10O2.C7H14N2O.C7H15NO.C3H3ClO/c1-2-22(32)30-8-7-29(12-16(30)9-21(26)31)23-18-10-17(14-3-5-15(24)6-4-14)19(25)11-20(18)27-13-28-23;23-20(26)13-19-14-24(21(27)29-15-17-7-3-1-4-8-17)11-12-25(19)22(28)30-16-18-9-5-2-6-10-18;25-20(26)13-19-14-23(21(27)29-15-17-7-3-1-4-8-17)11-12-24(19)22(28)30-16-18-9-5-2-6-10-18;25-14-11-20-15-23(21(26)28-16-18-7-3-1-4-8-18)12-13-24(20)22(27)29-17-19-9-5-2-6-10-19;22-15-5-3-14(4-6-15)16-9-17-19(10-18(16)23)25-12-26-21(17)27-7-1-2-13(11-27)8-20(24)28;15-9-3-1-8(2-4-9)10-5-11-13(6-12(10)16)18-7-19-14(11)17;1-8(10)11-7-9-5-3-2-4-6-9;8-7(10)4-6-2-1-3-9-5-6;9-5-3-7-2-1-4-8-6-7;1-2-3(4)5/h2-6,10-11,13,16H,1,7-9,12H2,(H2,26,31);1-10,19H,11-16H2,(H2,23,26);1-10,19H,11-16H2,(H,25,26);1-10,20,25H,11-17H2;3-6,9-10,12-13H,1-2,7-8,11H2,(H2,24,28);1-7H;2-6H,7H2,1H3;6,9H,1-5H2,(H2,8,10);7-9H,1-6H2;2H,1H2
• InChIKey: NCHLAWZCPUMYPN-UHFFFAOYSA-N
• XLogP: 25.22
• TPSA: 598.92 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 33
• Rotatable Bonds: 35
• Heavy Atoms: 203
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2929.72
LogP ≤ 5	25.22
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of benzyl acetate;2-[1,4-bis(phenylmethoxycarbonyl)piperazin-2-yl]acetic acid;2-[1-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperidin-3-yl]acetamide;2-[4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetamide;dibenzyl 2-(2-amino-2-oxoethyl)piperazine-1,4-dicarboxylate;dibenzyl 2-(2-hydroxyethyl)piperazine-1,4-dicarboxylate;4,7-dichloro-6-(4-chlorophenyl)quinazoline;2-piperidin-3-ylacetamide;2-piperidin-3-ylethanol;prop-2-enoyl chloride?

The IUPAC name of benzyl acetate;2-[1,4-bis(phenylmethoxycarbonyl)piperazin-2-yl]acetic acid;2-[1-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperidin-3-yl]acetamide;2-[4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetamide;dibenzyl 2-(2-amino-2-oxoethyl)piperazine-1,4-dicarboxylate;dibenzyl 2-(2-hydroxyethyl)piperazine-1,4-dicarboxylate;4,7-dichloro-6-(4-chlorophenyl)quinazoline;2-piperidin-3-ylacetamide;2-piperidin-3-ylethanol;prop-2-enoyl chloride (CID 159739740) is benzyl acetate;2-[1,4-bis(phenylmethoxycarbonyl)piperazin-2-yl]acetic acid;2-[1-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperidin-3-yl]acetamide;2-[4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetamide;dibenzyl 2-(2-amino-2-oxoethyl)piperazine-1,4-dicarboxylate;dibenzyl 2-(2-hydroxyethyl)piperazine-1,4-dicarboxylate;4,7-dichloro-6-(4-chlorophenyl)quinazoline;2-piperidin-3-ylacetamide;2-piperidin-3-ylethanol;prop-2-enoyl chloride.

What is the SMILES notation for benzyl acetate;2-[1,4-bis(phenylmethoxycarbonyl)piperazin-2-yl]acetic acid;2-[1-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperidin-3-yl]acetamide;2-[4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetamide;dibenzyl 2-(2-amino-2-oxoethyl)piperazine-1,4-dicarboxylate;dibenzyl 2-(2-hydroxyethyl)piperazine-1,4-dicarboxylate;4,7-dichloro-6-(4-chlorophenyl)quinazoline;2-piperidin-3-ylacetamide;2-piperidin-3-ylethanol;prop-2-enoyl chloride?

The canonical SMILES for benzyl acetate;2-[1,4-bis(phenylmethoxycarbonyl)piperazin-2-yl]acetic acid;2-[1-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperidin-3-yl]acetamide;2-[4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetamide;dibenzyl 2-(2-amino-2-oxoethyl)piperazine-1,4-dicarboxylate;dibenzyl 2-(2-hydroxyethyl)piperazine-1,4-dicarboxylate;4,7-dichloro-6-(4-chlorophenyl)quinazoline;2-piperidin-3-ylacetamide;2-piperidin-3-ylethanol;prop-2-enoyl chloride is C=CC(=O)Cl.C=CC(=O)N1CCN(c2ncnc3cc(Cl)c(-c4ccc(Cl)cc4)cc23)CC1CC(N)=O.CC(=O)OCc1ccccc1.Clc1ccc(-c2cc3c(Cl)ncnc3cc2Cl)cc1.NC(=O)CC1CCCN(c2ncnc3cc(Cl)c(-c4ccc(Cl)cc4)cc23)C1.NC(=O)CC1CCCNC1.NC(=O)CC1CN(C(=O)OCc2ccccc2)CCN1C(=O)OCc1ccccc1.O=C(O)CC1CN(C(=O)OCc2ccccc2)CCN1C(=O)OCc1ccccc1.O=C(OCc1ccccc1)N1CCN(C(=O)OCc2ccccc2)C(CCO)C1.OCCC1CCCNC1.

What is the InChIKey of benzyl acetate;2-[1,4-bis(phenylmethoxycarbonyl)piperazin-2-yl]acetic acid;2-[1-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperidin-3-yl]acetamide;2-[4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetamide;dibenzyl 2-(2-amino-2-oxoethyl)piperazine-1,4-dicarboxylate;dibenzyl 2-(2-hydroxyethyl)piperazine-1,4-dicarboxylate;4,7-dichloro-6-(4-chlorophenyl)quinazoline;2-piperidin-3-ylacetamide;2-piperidin-3-ylethanol;prop-2-enoyl chloride?

The InChIKey is NCHLAWZCPUMYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21Cl2N5O2.C22H25N3O5.C22H24N2O6.C22H26N2O5.C21H20Cl2N4O.C14H7Cl3N2.C9H10O2.C7H14N2O.C7H15NO.C3H3ClO/c1-2-22(32)30-8-7-29(12-16(30)9-21(26)31)23-18-10-17(14-3-5-15(24)6-4-14)19(25)11-20(18)27-13-28-23;23-20(26)13-19-14-24(21(27)29-15-17-7-3-1-4-8-17)11-12-25(19)22(28)30-16-18-9-5-2-6-10-18;25-20(26)13-19-14-23(21(27)29-15-17-7-3-1-4-8-17)11-12-24(19)22(28)30-16-18-9-5-2-6-10-18;25-14-11-20-15-23(21(26)28-16-18-7-3-1-4-8-18)12-13-24(20)22(27)29-17-19-9-5-2-6-10-19;22-15-5-3-14(4-6-15)16-9-17-19(10-18(16)23)25-12-26-21(17)27-7-1-2-13(11-27)8-20(24)28;15-9-3-1-8(2-4-9)10-5-11-13(6-12(10)16)18-7-19-14(11)17;1-8(10)11-7-9-5-3-2-4-6-9;8-7(10)4-6-2-1-3-9-5-6;9-5-3-7-2-1-4-8-6-7;1-2-3(4)5/h2-6,10-11,13,16H,1,7-9,12H2,(H2,26,31);1-10,19H,11-16H2,(H2,23,26);1-10,19H,11-16H2,(H,25,26);1-10,20,25H,11-17H2;3-6,9-10,12-13H,1-2,7-8,11H2,(H2,24,28);1-7H;2-6H,7H2,1H3;6,9H,1-5H2,(H2,8,10);7-9H,1-6H2;2H,1H2.

What are the key properties of benzyl acetate;2-[1,4-bis(phenylmethoxycarbonyl)piperazin-2-yl]acetic acid;2-[1-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperidin-3-yl]acetamide;2-[4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetamide;dibenzyl 2-(2-amino-2-oxoethyl)piperazine-1,4-dicarboxylate;dibenzyl 2-(2-hydroxyethyl)piperazine-1,4-dicarboxylate;4,7-dichloro-6-(4-chlorophenyl)quinazoline;2-piperidin-3-ylacetamide;2-piperidin-3-ylethanol;prop-2-enoyl chloride?

benzyl acetate;2-[1,4-bis(phenylmethoxycarbonyl)piperazin-2-yl]acetic acid;2-[1-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperidin-3-yl]acetamide;2-[4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetamide;dibenzyl 2-(2-amino-2-oxoethyl)piperazine-1,4-dicarboxylate;dibenzyl 2-(2-hydroxyethyl)piperazine-1,4-dicarboxylate;4,7-dichloro-6-(4-chlorophenyl)quinazoline;2-piperidin-3-ylacetamide;2-piperidin-3-ylethanol;prop-2-enoyl chloride has a molecular weight of 2929.72 g/mol, XLogP of 25.22, 35 rotatable bonds, 9 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl acetate;2-[1,4-bis(phenylmethoxycarbonyl)piperazin-2-yl]acetic acid;2-[1-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperidin-3-yl]acetamide;2-[4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetamide;dibenzyl 2-(2-amino-2-oxoethyl)piperazine-1,4-dicarboxylate;dibenzyl 2-(2-hydroxyethyl)piperazine-1,4-dicarboxylate;4,7-dichloro-6-(4-chlorophenyl)quinazoline;2-piperidin-3-ylacetamide;2-piperidin-3-ylethanol;prop-2-enoyl chloride is sourced from PubChem (CID 159739740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).