1-[4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]-2-(2-hydroxyethyl)piperazin-1-yl]prop-2-en-1-one;2-[1-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperidin-3-yl]ethanol;4,7-dichloro-6-(4-chlorophenyl)quinazoline;dimethyl (Z)-but-2-enedioate;ethane-1,2-diamine;3-(2-hydroxyethyl)piperidin-2-one;methyl 2-(2-oxopiperidin-3-yl)acetate;oxolane;propan-2-ol;prop-2-enoic acid

C91H112Cl7N13O16 — CID 157402305

About 1-[4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]-2-(2-hydroxyethyl)piperazin-1-yl]prop-2-en-1-one;2-[1-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperidin-3-yl]ethanol;4,7-dichloro-6-(4-chlorophenyl)quinazoline;dimethyl (Z)-but-2-enedioate;ethane-1,2-diamine;3-(2-hydroxyethyl)piperidin-2-one;methyl 2-(2-oxopiperidin-3-yl)acetate;oxolane;propan-2-ol;prop-2-enoic acid

1-[4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]-2-(2-hydroxyethyl)piperazin-1-yl]prop-2-en-1-one;2-[1-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperidin-3-yl]ethanol;4,7-dichloro-6-(4-chlorophenyl)quinazoline;dimethyl (Z)-but-2-enedioate;ethane-1,2-diamine;3-(2-hydroxyethyl)piperidin-2-one;methyl 2-(2-oxopiperidin-3-yl)acetate;oxolane;propan-2-ol;prop-2-enoic acid (PubChem CID 157402305) has the molecular formula C91H112Cl7N13O16 and a molecular weight of 1892.14 g/mol. Its IUPAC name is 1-[4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]-2-(2-hydroxyethyl)piperazin-1-yl]prop-2-en-1-one;2-[1-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperidin-3-yl]ethanol;4,7-dichloro-6-(4-chlorophenyl)quinazoline;dimethyl (Z)-but-2-enedioate;ethane-1,2-diamine;3-(2-hydroxyethyl)piperidin-2-one;methyl 2-(2-oxopiperidin-3-yl)acetate;oxolane;propan-2-ol;prop-2-enoic acid.

Molecular Properties

• Compound Name: 1-[4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]-2-(2-hydroxyethyl)piperazin-1-yl]prop-2-en-1-one;2-[1-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperidin-3-yl]ethanol;4,7-dichloro-6-(4-chlorophenyl)quinazoline;dimethyl (Z)-but-2-enedioate;ethane-1,2-diamine;3-(2-hydroxyethyl)piperidin-2-one;methyl 2-(2-oxopiperidin-3-yl)acetate;oxolane;propan-2-ol;prop-2-enoic acid
• PubChem CID: 157402305
• Molecular Formula: C91H112Cl7N13O16
• Molecular Weight: 1892.14 g/mol
• Exact Mass: 1887.62
• IUPAC Name: 1-[4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]-2-(2-hydroxyethyl)piperazin-1-yl]prop-2-en-1-one;2-[1-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperidin-3-yl]ethanol;4,7-dichloro-6-(4-chlorophenyl)quinazoline;dimethyl (Z)-but-2-enedioate;ethane-1,2-diamine;3-(2-hydroxyethyl)piperidin-2-one;methyl 2-(2-oxopiperidin-3-yl)acetate;oxolane;propan-2-ol;prop-2-enoic acid
• SMILES: C1CCOC1.C=CC(=O)N1CCN(c2ncnc3cc(Cl)c(-c4ccc(Cl)cc4)cc23)CC1CCO.C=CC(=O)O.CC(C)O.COC(=O)/C=C\C(=O)OC.COC(=O)CC1CCCNC1=O.Clc1ccc(-c2cc3c(Cl)ncnc3cc2Cl)cc1.NCCN.O=C1NCCCC1CCO.OCCC1CCCN(c2ncnc3cc(Cl)c(-c4ccc(Cl)cc4)cc23)C1
• InChI: InChI=1S/C23H22Cl2N4O2.C21H21Cl2N3O.C14H7Cl3N2.C8H13NO3.C7H13NO2.C6H8O4.C4H8O.C3H4O2.C3H8O.C2H8N2/c1-2-22(31)29-9-8-28(13-17(29)7-10-30)23-19-11-18(15-3-5-16(24)6-4-15)20(25)12-21(19)26-14-27-23;22-16-5-3-15(4-6-16)17-10-18-20(11-19(17)23)24-13-25-21(18)26-8-1-2-14(12-26)7-9-27;15-9-3-1-8(2-4-9)10-5-11-13(6-12(10)16)18-7-19-14(11)17;1-12-7(10)5-6-3-2-4-9-8(6)11;9-5-3-6-2-1-4-8-7(6)10;1-9-5(7)3-4-6(8)10-2;1-2-4-5-3-1;1-2-3(4)5;1-3(2)4;3-1-2-4/h2-6,11-12,14,17,30H,1,7-10,13H2;3-6,10-11,13-14,27H,1-2,7-9,12H2;1-7H;6H,2-5H2,1H3,(H,9,11);6,9H,1-5H2,(H,8,10);3-4H,1-2H3;1-4H2;2H,1H2,(H,4,5);3-4H,1-2H3;1-4H2/b;;;;;4-3-
• InChIKey: BNHVHNYYTLKCRO-FDEGJMABSA-N
• XLogP: 14.85
• TPSA: 420.72 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 25
• Rotatable Bonds: 18
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1892.14
LogP ≤ 5	14.85
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]-2-(2-hydroxyethyl)piperazin-1-yl]prop-2-en-1-one;2-[1-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperidin-3-yl]ethanol;4,7-dichloro-6-(4-chlorophenyl)quinazoline;dimethyl (Z)-but-2-enedioate;ethane-1,2-diamine;3-(2-hydroxyethyl)piperidin-2-one;methyl 2-(2-oxopiperidin-3-yl)acetate;oxolane;propan-2-ol;prop-2-enoic acid?

The IUPAC name of 1-[4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]-2-(2-hydroxyethyl)piperazin-1-yl]prop-2-en-1-one;2-[1-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperidin-3-yl]ethanol;4,7-dichloro-6-(4-chlorophenyl)quinazoline;dimethyl (Z)-but-2-enedioate;ethane-1,2-diamine;3-(2-hydroxyethyl)piperidin-2-one;methyl 2-(2-oxopiperidin-3-yl)acetate;oxolane;propan-2-ol;prop-2-enoic acid (CID 157402305) is 1-[4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]-2-(2-hydroxyethyl)piperazin-1-yl]prop-2-en-1-one;2-[1-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperidin-3-yl]ethanol;4,7-dichloro-6-(4-chlorophenyl)quinazoline;dimethyl (Z)-but-2-enedioate;ethane-1,2-diamine;3-(2-hydroxyethyl)piperidin-2-one;methyl 2-(2-oxopiperidin-3-yl)acetate;oxolane;propan-2-ol;prop-2-enoic acid.

What is the SMILES notation for 1-[4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]-2-(2-hydroxyethyl)piperazin-1-yl]prop-2-en-1-one;2-[1-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperidin-3-yl]ethanol;4,7-dichloro-6-(4-chlorophenyl)quinazoline;dimethyl (Z)-but-2-enedioate;ethane-1,2-diamine;3-(2-hydroxyethyl)piperidin-2-one;methyl 2-(2-oxopiperidin-3-yl)acetate;oxolane;propan-2-ol;prop-2-enoic acid?

The canonical SMILES for 1-[4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]-2-(2-hydroxyethyl)piperazin-1-yl]prop-2-en-1-one;2-[1-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperidin-3-yl]ethanol;4,7-dichloro-6-(4-chlorophenyl)quinazoline;dimethyl (Z)-but-2-enedioate;ethane-1,2-diamine;3-(2-hydroxyethyl)piperidin-2-one;methyl 2-(2-oxopiperidin-3-yl)acetate;oxolane;propan-2-ol;prop-2-enoic acid is C1CCOC1.C=CC(=O)N1CCN(c2ncnc3cc(Cl)c(-c4ccc(Cl)cc4)cc23)CC1CCO.C=CC(=O)O.CC(C)O.COC(=O)/C=C\C(=O)OC.COC(=O)CC1CCCNC1=O.Clc1ccc(-c2cc3c(Cl)ncnc3cc2Cl)cc1.NCCN.O=C1NCCCC1CCO.OCCC1CCCN(c2ncnc3cc(Cl)c(-c4ccc(Cl)cc4)cc23)C1.

What is the InChIKey of 1-[4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]-2-(2-hydroxyethyl)piperazin-1-yl]prop-2-en-1-one;2-[1-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperidin-3-yl]ethanol;4,7-dichloro-6-(4-chlorophenyl)quinazoline;dimethyl (Z)-but-2-enedioate;ethane-1,2-diamine;3-(2-hydroxyethyl)piperidin-2-one;methyl 2-(2-oxopiperidin-3-yl)acetate;oxolane;propan-2-ol;prop-2-enoic acid?

The InChIKey is BNHVHNYYTLKCRO-FDEGJMABSA-N. The full InChI is InChI=1S/C23H22Cl2N4O2.C21H21Cl2N3O.C14H7Cl3N2.C8H13NO3.C7H13NO2.C6H8O4.C4H8O.C3H4O2.C3H8O.C2H8N2/c1-2-22(31)29-9-8-28(13-17(29)7-10-30)23-19-11-18(15-3-5-16(24)6-4-15)20(25)12-21(19)26-14-27-23;22-16-5-3-15(4-6-16)17-10-18-20(11-19(17)23)24-13-25-21(18)26-8-1-2-14(12-26)7-9-27;15-9-3-1-8(2-4-9)10-5-11-13(6-12(10)16)18-7-19-14(11)17;1-12-7(10)5-6-3-2-4-9-8(6)11;9-5-3-6-2-1-4-8-7(6)10;1-9-5(7)3-4-6(8)10-2;1-2-4-5-3-1;1-2-3(4)5;1-3(2)4;3-1-2-4/h2-6,11-12,14,17,30H,1,7-10,13H2;3-6,10-11,13-14,27H,1-2,7-9,12H2;1-7H;6H,2-5H2,1H3,(H,9,11);6,9H,1-5H2,(H,8,10);3-4H,1-2H3;1-4H2;2H,1H2,(H,4,5);3-4H,1-2H3;1-4H2/b;;;;;4-3-;;;;.

What are the key properties of 1-[4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]-2-(2-hydroxyethyl)piperazin-1-yl]prop-2-en-1-one;2-[1-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperidin-3-yl]ethanol;4,7-dichloro-6-(4-chlorophenyl)quinazoline;dimethyl (Z)-but-2-enedioate;ethane-1,2-diamine;3-(2-hydroxyethyl)piperidin-2-one;methyl 2-(2-oxopiperidin-3-yl)acetate;oxolane;propan-2-ol;prop-2-enoic acid?

1-[4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]-2-(2-hydroxyethyl)piperazin-1-yl]prop-2-en-1-one;2-[1-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperidin-3-yl]ethanol;4,7-dichloro-6-(4-chlorophenyl)quinazoline;dimethyl (Z)-but-2-enedioate;ethane-1,2-diamine;3-(2-hydroxyethyl)piperidin-2-one;methyl 2-(2-oxopiperidin-3-yl)acetate;oxolane;propan-2-ol;prop-2-enoic acid has a molecular weight of 1892.14 g/mol, XLogP of 14.85, 18 rotatable bonds, 9 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]-2-(2-hydroxyethyl)piperazin-1-yl]prop-2-en-1-one;2-[1-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperidin-3-yl]ethanol;4,7-dichloro-6-(4-chlorophenyl)quinazoline;dimethyl (Z)-but-2-enedioate;ethane-1,2-diamine;3-(2-hydroxyethyl)piperidin-2-one;methyl 2-(2-oxopiperidin-3-yl)acetate;oxolane;propan-2-ol;prop-2-enoic acid is sourced from PubChem (CID 157402305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).