1-[4-[6-chloro-7-(2,6-difluorophenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-7-(4-fluoro-2-hydroxyphenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-7-(2-hydroxyphenyl)quinazolin-4-yl]-2-methylpiperazin-1-yl]prop-2-en-1-one;3-[6-chloro-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-7-yl]-2-fluoro-N,N-dimethylbenzamide;1-[4-(6-chloro-7-quinolin-5-ylquinazolin-4-yl)piperazin-1-yl]prop-2-en-1-one

C112H99Cl5F4N22O8 — CID 158091949

About 1-[4-[6-chloro-7-(2,6-difluorophenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-7-(4-fluoro-2-hydroxyphenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-7-(2-hydroxyphenyl)quinazolin-4-yl]-2-methylpiperazin-1-yl]prop-2-en-1-one;3-[6-chloro-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-7-yl]-2-fluoro-N,N-dimethylbenzamide;1-[4-(6-chloro-7-quinolin-5-ylquinazolin-4-yl)piperazin-1-yl]prop-2-en-1-one

1-[4-[6-chloro-7-(2,6-difluorophenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-7-(4-fluoro-2-hydroxyphenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-7-(2-hydroxyphenyl)quinazolin-4-yl]-2-methylpiperazin-1-yl]prop-2-en-1-one;3-[6-chloro-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-7-yl]-2-fluoro-N,N-dimethylbenzamide;1-[4-(6-chloro-7-quinolin-5-ylquinazolin-4-yl)piperazin-1-yl]prop-2-en-1-one (PubChem CID 158091949) has the molecular formula C112H99Cl5F4N22O8 and a molecular weight of 2134.43 g/mol. Its IUPAC name is 1-[4-[6-chloro-7-(2,6-difluorophenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-7-(4-fluoro-2-hydroxyphenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-7-(2-hydroxyphenyl)quinazolin-4-yl]-2-methylpiperazin-1-yl]prop-2-en-1-one;3-[6-chloro-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-7-yl]-2-fluoro-N,N-dimethylbenzamide;1-[4-(6-chloro-7-quinolin-5-ylquinazolin-4-yl)piperazin-1-yl]prop-2-en-1-one.

Molecular Properties

• Compound Name: 1-[4-[6-chloro-7-(2,6-difluorophenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-7-(4-fluoro-2-hydroxyphenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-7-(2-hydroxyphenyl)quinazolin-4-yl]-2-methylpiperazin-1-yl]prop-2-en-1-one;3-[6-chloro-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-7-yl]-2-fluoro-N,N-dimethylbenzamide;1-[4-(6-chloro-7-quinolin-5-ylquinazolin-4-yl)piperazin-1-yl]prop-2-en-1-one
• PubChem CID: 158091949
• Molecular Formula: C112H99Cl5F4N22O8
• Molecular Weight: 2134.43 g/mol
• Exact Mass: 2130.64
• IUPAC Name: 1-[4-[6-chloro-7-(2,6-difluorophenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-7-(4-fluoro-2-hydroxyphenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-7-(2-hydroxyphenyl)quinazolin-4-yl]-2-methylpiperazin-1-yl]prop-2-en-1-one;3-[6-chloro-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-7-yl]-2-fluoro-N,N-dimethylbenzamide;1-[4-(6-chloro-7-quinolin-5-ylquinazolin-4-yl)piperazin-1-yl]prop-2-en-1-one
• SMILES: C=CC(=O)N1CCN(c2ncnc3cc(-c4c(F)cccc4F)c(Cl)cc23)CC1.C=CC(=O)N1CCN(c2ncnc3cc(-c4ccc(F)cc4O)c(Cl)cc23)CC1.C=CC(=O)N1CCN(c2ncnc3cc(-c4cccc(C(=O)N(C)C)c4F)c(Cl)cc23)CC1.C=CC(=O)N1CCN(c2ncnc3cc(-c4cccc5ncccc45)c(Cl)cc23)CC1.C=CC(=O)N1CCN(c2ncnc3cc(-c4ccccc4O)c(Cl)cc23)CC1C
• InChI: InChI=1S/C24H23ClFN5O2.C24H20ClN5O.C22H21ClN4O2.C21H17ClF2N4O.C21H18ClFN4O2/c1-4-21(32)30-8-10-31(11-9-30)23-18-12-19(25)17(13-20(18)27-14-28-23)15-6-5-7-16(22(15)26)24(33)29(2)3;1-2-23(31)29-9-11-30(12-10-29)24-19-13-20(25)18(14-22(19)27-15-28-24)16-5-3-7-21-17(16)6-4-8-26-21;1-3-21(29)27-9-8-26(12-14(27)2)22-17-10-18(23)16(11-19(17)24-13-25-22)15-6-4-5-7-20(15)28;1-2-19(29)27-6-8-28(9-7-27)21-14-10-15(22)13(11-18(14)25-12-26-21)20-16(23)4-3-5-17(20)24;1-2-20(29)26-5-7-27(8-6-26)21-16-10-17(22)15(11-18(16)24-12-25-21)14-4-3-13(23)9-19(14)28/h4-7,12-14H,1,8-11H2,2-3H3;2-8,13-15H,1,9-12H2;3-7,10-11,13-14,28H,1,8-9,12H2,2H3;2-5,10-12H,1,6-9H2;2-4,9-12,28H,1,5-8H2
• InChIKey: FOFDKGSWQZLVHL-UHFFFAOYSA-N
• XLogP: 19.53
• TPSA: 320.31 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 24
• Rotatable Bonds: 16
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2134.43
LogP ≤ 5	19.53
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-chloro-7-(2,6-difluorophenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-7-(4-fluoro-2-hydroxyphenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-7-(2-hydroxyphenyl)quinazolin-4-yl]-2-methylpiperazin-1-yl]prop-2-en-1-one;3-[6-chloro-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-7-yl]-2-fluoro-N,N-dimethylbenzamide;1-[4-(6-chloro-7-quinolin-5-ylquinazolin-4-yl)piperazin-1-yl]prop-2-en-1-one?

The IUPAC name of 1-[4-[6-chloro-7-(2,6-difluorophenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-7-(4-fluoro-2-hydroxyphenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-7-(2-hydroxyphenyl)quinazolin-4-yl]-2-methylpiperazin-1-yl]prop-2-en-1-one;3-[6-chloro-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-7-yl]-2-fluoro-N,N-dimethylbenzamide;1-[4-(6-chloro-7-quinolin-5-ylquinazolin-4-yl)piperazin-1-yl]prop-2-en-1-one (CID 158091949) is 1-[4-[6-chloro-7-(2,6-difluorophenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-7-(4-fluoro-2-hydroxyphenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-7-(2-hydroxyphenyl)quinazolin-4-yl]-2-methylpiperazin-1-yl]prop-2-en-1-one;3-[6-chloro-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-7-yl]-2-fluoro-N,N-dimethylbenzamide;1-[4-(6-chloro-7-quinolin-5-ylquinazolin-4-yl)piperazin-1-yl]prop-2-en-1-one.

What is the SMILES notation for 1-[4-[6-chloro-7-(2,6-difluorophenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-7-(4-fluoro-2-hydroxyphenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-7-(2-hydroxyphenyl)quinazolin-4-yl]-2-methylpiperazin-1-yl]prop-2-en-1-one;3-[6-chloro-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-7-yl]-2-fluoro-N,N-dimethylbenzamide;1-[4-(6-chloro-7-quinolin-5-ylquinazolin-4-yl)piperazin-1-yl]prop-2-en-1-one?

The canonical SMILES for 1-[4-[6-chloro-7-(2,6-difluorophenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-7-(4-fluoro-2-hydroxyphenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-7-(2-hydroxyphenyl)quinazolin-4-yl]-2-methylpiperazin-1-yl]prop-2-en-1-one;3-[6-chloro-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-7-yl]-2-fluoro-N,N-dimethylbenzamide;1-[4-(6-chloro-7-quinolin-5-ylquinazolin-4-yl)piperazin-1-yl]prop-2-en-1-one is C=CC(=O)N1CCN(c2ncnc3cc(-c4c(F)cccc4F)c(Cl)cc23)CC1.C=CC(=O)N1CCN(c2ncnc3cc(-c4ccc(F)cc4O)c(Cl)cc23)CC1.C=CC(=O)N1CCN(c2ncnc3cc(-c4cccc(C(=O)N(C)C)c4F)c(Cl)cc23)CC1.C=CC(=O)N1CCN(c2ncnc3cc(-c4cccc5ncccc45)c(Cl)cc23)CC1.C=CC(=O)N1CCN(c2ncnc3cc(-c4ccccc4O)c(Cl)cc23)CC1C.

What is the InChIKey of 1-[4-[6-chloro-7-(2,6-difluorophenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-7-(4-fluoro-2-hydroxyphenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-7-(2-hydroxyphenyl)quinazolin-4-yl]-2-methylpiperazin-1-yl]prop-2-en-1-one;3-[6-chloro-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-7-yl]-2-fluoro-N,N-dimethylbenzamide;1-[4-(6-chloro-7-quinolin-5-ylquinazolin-4-yl)piperazin-1-yl]prop-2-en-1-one?

The InChIKey is FOFDKGSWQZLVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClFN5O2.C24H20ClN5O.C22H21ClN4O2.C21H17ClF2N4O.C21H18ClFN4O2/c1-4-21(32)30-8-10-31(11-9-30)23-18-12-19(25)17(13-20(18)27-14-28-23)15-6-5-7-16(22(15)26)24(33)29(2)3;1-2-23(31)29-9-11-30(12-10-29)24-19-13-20(25)18(14-22(19)27-15-28-24)16-5-3-7-21-17(16)6-4-8-26-21;1-3-21(29)27-9-8-26(12-14(27)2)22-17-10-18(23)16(11-19(17)24-13-25-22)15-6-4-5-7-20(15)28;1-2-19(29)27-6-8-28(9-7-27)21-14-10-15(22)13(11-18(14)25-12-26-21)20-16(23)4-3-5-17(20)24;1-2-20(29)26-5-7-27(8-6-26)21-16-10-17(22)15(11-18(16)24-12-25-21)14-4-3-13(23)9-19(14)28/h4-7,12-14H,1,8-11H2,2-3H3;2-8,13-15H,1,9-12H2;3-7,10-11,13-14,28H,1,8-9,12H2,2H3;2-5,10-12H,1,6-9H2;2-4,9-12,28H,1,5-8H2.

What are the key properties of 1-[4-[6-chloro-7-(2,6-difluorophenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-7-(4-fluoro-2-hydroxyphenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-7-(2-hydroxyphenyl)quinazolin-4-yl]-2-methylpiperazin-1-yl]prop-2-en-1-one;3-[6-chloro-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-7-yl]-2-fluoro-N,N-dimethylbenzamide;1-[4-(6-chloro-7-quinolin-5-ylquinazolin-4-yl)piperazin-1-yl]prop-2-en-1-one?

1-[4-[6-chloro-7-(2,6-difluorophenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-7-(4-fluoro-2-hydroxyphenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-7-(2-hydroxyphenyl)quinazolin-4-yl]-2-methylpiperazin-1-yl]prop-2-en-1-one;3-[6-chloro-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-7-yl]-2-fluoro-N,N-dimethylbenzamide;1-[4-(6-chloro-7-quinolin-5-ylquinazolin-4-yl)piperazin-1-yl]prop-2-en-1-one has a molecular weight of 2134.43 g/mol, XLogP of 19.53, 16 rotatable bonds, 2 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[6-chloro-7-(2,6-difluorophenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-7-(4-fluoro-2-hydroxyphenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-7-(2-hydroxyphenyl)quinazolin-4-yl]-2-methylpiperazin-1-yl]prop-2-en-1-one;3-[6-chloro-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-7-yl]-2-fluoro-N,N-dimethylbenzamide;1-[4-(6-chloro-7-quinolin-5-ylquinazolin-4-yl)piperazin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 158091949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).