[3-acetyloxy-2-[2-[(E)-2-(2-acetyloxy-3-methoxyphenyl)ethenyl]-4-oxoquinazolin-3-yl]phenyl] acetate;2-[(E)-2-[3-(1,1-difluoroethoxy)-2-hydroxyphenyl]ethenyl]-3-(2,6-dimethylphenyl)quinazolin-4-one;3-(2,6-difluorophenyl)-2-[(E)-2-(3-ethoxy-2-hydroxyphenyl)ethenyl]quinazolin-4-one;3-(2,6-difluorophenyl)-2-[(E)-2-(2-hydroxy-3-methoxyphenyl)ethenyl]quinazolin-4-one;2-[(E)-2-(2-hydroxy-3-methoxyphenyl)ethenyl]-3-(3-methoxyphenyl)quinazolin-4-one

C126H100F6N10O21 — CID 162237333

About [3-acetyloxy-2-[2-[(E)-2-(2-acetyloxy-3-methoxyphenyl)ethenyl]-4-oxoquinazolin-3-yl]phenyl] acetate;2-[(E)-2-[3-(1,1-difluoroethoxy)-2-hydroxyphenyl]ethenyl]-3-(2,6-dimethylphenyl)quinazolin-4-one;3-(2,6-difluorophenyl)-2-[(E)-2-(3-ethoxy-2-hydroxyphenyl)ethenyl]quinazolin-4-one;3-(2,6-difluorophenyl)-2-[(E)-2-(2-hydroxy-3-methoxyphenyl)ethenyl]quinazolin-4-one;2-[(E)-2-(2-hydroxy-3-methoxyphenyl)ethenyl]-3-(3-methoxyphenyl)quinazolin-4-one

[3-acetyloxy-2-[2-[(E)-2-(2-acetyloxy-3-methoxyphenyl)ethenyl]-4-oxoquinazolin-3-yl]phenyl] acetate;2-[(E)-2-[3-(1,1-difluoroethoxy)-2-hydroxyphenyl]ethenyl]-3-(2,6-dimethylphenyl)quinazolin-4-one;3-(2,6-difluorophenyl)-2-[(E)-2-(3-ethoxy-2-hydroxyphenyl)ethenyl]quinazolin-4-one;3-(2,6-difluorophenyl)-2-[(E)-2-(2-hydroxy-3-methoxyphenyl)ethenyl]quinazolin-4-one;2-[(E)-2-(2-hydroxy-3-methoxyphenyl)ethenyl]-3-(3-methoxyphenyl)quinazolin-4-one (PubChem CID 162237333) has the molecular formula C126H100F6N10O21 and a molecular weight of 2204.22 g/mol. Its IUPAC name is [3-acetyloxy-2-[2-[(E)-2-(2-acetyloxy-3-methoxyphenyl)ethenyl]-4-oxoquinazolin-3-yl]phenyl] acetate;2-[(E)-2-[3-(1,1-difluoroethoxy)-2-hydroxyphenyl]ethenyl]-3-(2,6-dimethylphenyl)quinazolin-4-one;3-(2,6-difluorophenyl)-2-[(E)-2-(3-ethoxy-2-hydroxyphenyl)ethenyl]quinazolin-4-one;3-(2,6-difluorophenyl)-2-[(E)-2-(2-hydroxy-3-methoxyphenyl)ethenyl]quinazolin-4-one;2-[(E)-2-(2-hydroxy-3-methoxyphenyl)ethenyl]-3-(3-methoxyphenyl)quinazolin-4-one.

Molecular Properties

• Compound Name: [3-acetyloxy-2-[2-[(E)-2-(2-acetyloxy-3-methoxyphenyl)ethenyl]-4-oxoquinazolin-3-yl]phenyl] acetate;2-[(E)-2-[3-(1,1-difluoroethoxy)-2-hydroxyphenyl]ethenyl]-3-(2,6-dimethylphenyl)quinazolin-4-one;3-(2,6-difluorophenyl)-2-[(E)-2-(3-ethoxy-2-hydroxyphenyl)ethenyl]quinazolin-4-one;3-(2,6-difluorophenyl)-2-[(E)-2-(2-hydroxy-3-methoxyphenyl)ethenyl]quinazolin-4-one;2-[(E)-2-(2-hydroxy-3-methoxyphenyl)ethenyl]-3-(3-methoxyphenyl)quinazolin-4-one
• PubChem CID: 162237333
• Molecular Formula: C126H100F6N10O21
• Molecular Weight: 2204.22 g/mol
• Exact Mass: 2202.70
• IUPAC Name: [3-acetyloxy-2-[2-[(E)-2-(2-acetyloxy-3-methoxyphenyl)ethenyl]-4-oxoquinazolin-3-yl]phenyl] acetate;2-[(E)-2-[3-(1,1-difluoroethoxy)-2-hydroxyphenyl]ethenyl]-3-(2,6-dimethylphenyl)quinazolin-4-one;3-(2,6-difluorophenyl)-2-[(E)-2-(3-ethoxy-2-hydroxyphenyl)ethenyl]quinazolin-4-one;3-(2,6-difluorophenyl)-2-[(E)-2-(2-hydroxy-3-methoxyphenyl)ethenyl]quinazolin-4-one;2-[(E)-2-(2-hydroxy-3-methoxyphenyl)ethenyl]-3-(3-methoxyphenyl)quinazolin-4-one
• SMILES: CCOc1cccc(/C=C/c2nc3ccccc3c(=O)n2-c2c(F)cccc2F)c1O.COc1cccc(-n2c(/C=C/c3cccc(OC)c3O)nc3ccccc3c2=O)c1.COc1cccc(/C=C/c2nc3ccccc3c(=O)n2-c2c(F)cccc2F)c1O.COc1cccc(/C=C/c2nc3ccccc3c(=O)n2-c2c(OC(C)=O)cccc2OC(C)=O)c1OC(C)=O.Cc1cccc(C)c1-n1c(/C=C/c2cccc(OC(C)(F)F)c2O)nc2ccccc2c1=O
• InChI: InChI=1S/C29H24N2O8.C26H22F2N2O3.C24H18F2N2O3.C24H20N2O4.C23H16F2N2O3/c1-17(32)37-23-12-8-13-24(38-18(2)33)27(23)31-26(30-22-11-6-5-10-21(22)29(31)35)16-15-20-9-7-14-25(36-4)28(20)39-19(3)34;1-16-8-6-9-17(2)23(16)30-22(29-20-12-5-4-11-19(20)25(30)32)15-14-18-10-7-13-21(24(18)31)33-26(3,27)28;1-2-31-20-12-5-7-15(23(20)29)13-14-21-27-19-11-4-3-8-16(19)24(30)28(21)22-17(25)9-6-10-18(22)26;1-29-18-9-6-8-17(15-18)26-22(25-20-11-4-3-10-19(20)24(26)28)14-13-16-7-5-12-21(30-2)23(16)27;1-30-19-11-4-6-14(22(19)28)12-13-20-26-18-10-3-2-7-15(18)23(29)27(20)21-16(24)8-5-9-17(21)25/h5-16H,1-4H3;4-15,31H,1-3H3;3-14,29H,2H2,1H3;3-15,27H,1-2H3;2-13,28H,1H3/b16-15+;15-14+;2*14-13+;13-12+
• InChIKey: ZWFSOVNSSNNGMN-WCBMMICXSA-N
• XLogP: 23.98
• TPSA: 389.65 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 31
• Rotatable Bonds: 26
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2204.22
LogP ≤ 5	23.98
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [3-acetyloxy-2-[2-[(E)-2-(2-acetyloxy-3-methoxyphenyl)ethenyl]-4-oxoquinazolin-3-yl]phenyl] acetate;2-[(E)-2-[3-(1,1-difluoroethoxy)-2-hydroxyphenyl]ethenyl]-3-(2,6-dimethylphenyl)quinazolin-4-one;3-(2,6-difluorophenyl)-2-[(E)-2-(3-ethoxy-2-hydroxyphenyl)ethenyl]quinazolin-4-one;3-(2,6-difluorophenyl)-2-[(E)-2-(2-hydroxy-3-methoxyphenyl)ethenyl]quinazolin-4-one;2-[(E)-2-(2-hydroxy-3-methoxyphenyl)ethenyl]-3-(3-methoxyphenyl)quinazolin-4-one?

The IUPAC name of [3-acetyloxy-2-[2-[(E)-2-(2-acetyloxy-3-methoxyphenyl)ethenyl]-4-oxoquinazolin-3-yl]phenyl] acetate;2-[(E)-2-[3-(1,1-difluoroethoxy)-2-hydroxyphenyl]ethenyl]-3-(2,6-dimethylphenyl)quinazolin-4-one;3-(2,6-difluorophenyl)-2-[(E)-2-(3-ethoxy-2-hydroxyphenyl)ethenyl]quinazolin-4-one;3-(2,6-difluorophenyl)-2-[(E)-2-(2-hydroxy-3-methoxyphenyl)ethenyl]quinazolin-4-one;2-[(E)-2-(2-hydroxy-3-methoxyphenyl)ethenyl]-3-(3-methoxyphenyl)quinazolin-4-one (CID 162237333) is [3-acetyloxy-2-[2-[(E)-2-(2-acetyloxy-3-methoxyphenyl)ethenyl]-4-oxoquinazolin-3-yl]phenyl] acetate;2-[(E)-2-[3-(1,1-difluoroethoxy)-2-hydroxyphenyl]ethenyl]-3-(2,6-dimethylphenyl)quinazolin-4-one;3-(2,6-difluorophenyl)-2-[(E)-2-(3-ethoxy-2-hydroxyphenyl)ethenyl]quinazolin-4-one;3-(2,6-difluorophenyl)-2-[(E)-2-(2-hydroxy-3-methoxyphenyl)ethenyl]quinazolin-4-one;2-[(E)-2-(2-hydroxy-3-methoxyphenyl)ethenyl]-3-(3-methoxyphenyl)quinazolin-4-one.

What is the SMILES notation for [3-acetyloxy-2-[2-[(E)-2-(2-acetyloxy-3-methoxyphenyl)ethenyl]-4-oxoquinazolin-3-yl]phenyl] acetate;2-[(E)-2-[3-(1,1-difluoroethoxy)-2-hydroxyphenyl]ethenyl]-3-(2,6-dimethylphenyl)quinazolin-4-one;3-(2,6-difluorophenyl)-2-[(E)-2-(3-ethoxy-2-hydroxyphenyl)ethenyl]quinazolin-4-one;3-(2,6-difluorophenyl)-2-[(E)-2-(2-hydroxy-3-methoxyphenyl)ethenyl]quinazolin-4-one;2-[(E)-2-(2-hydroxy-3-methoxyphenyl)ethenyl]-3-(3-methoxyphenyl)quinazolin-4-one?

The canonical SMILES for [3-acetyloxy-2-[2-[(E)-2-(2-acetyloxy-3-methoxyphenyl)ethenyl]-4-oxoquinazolin-3-yl]phenyl] acetate;2-[(E)-2-[3-(1,1-difluoroethoxy)-2-hydroxyphenyl]ethenyl]-3-(2,6-dimethylphenyl)quinazolin-4-one;3-(2,6-difluorophenyl)-2-[(E)-2-(3-ethoxy-2-hydroxyphenyl)ethenyl]quinazolin-4-one;3-(2,6-difluorophenyl)-2-[(E)-2-(2-hydroxy-3-methoxyphenyl)ethenyl]quinazolin-4-one;2-[(E)-2-(2-hydroxy-3-methoxyphenyl)ethenyl]-3-(3-methoxyphenyl)quinazolin-4-one is CCOc1cccc(/C=C/c2nc3ccccc3c(=O)n2-c2c(F)cccc2F)c1O.COc1cccc(-n2c(/C=C/c3cccc(OC)c3O)nc3ccccc3c2=O)c1.COc1cccc(/C=C/c2nc3ccccc3c(=O)n2-c2c(F)cccc2F)c1O.COc1cccc(/C=C/c2nc3ccccc3c(=O)n2-c2c(OC(C)=O)cccc2OC(C)=O)c1OC(C)=O.Cc1cccc(C)c1-n1c(/C=C/c2cccc(OC(C)(F)F)c2O)nc2ccccc2c1=O.

What is the InChIKey of [3-acetyloxy-2-[2-[(E)-2-(2-acetyloxy-3-methoxyphenyl)ethenyl]-4-oxoquinazolin-3-yl]phenyl] acetate;2-[(E)-2-[3-(1,1-difluoroethoxy)-2-hydroxyphenyl]ethenyl]-3-(2,6-dimethylphenyl)quinazolin-4-one;3-(2,6-difluorophenyl)-2-[(E)-2-(3-ethoxy-2-hydroxyphenyl)ethenyl]quinazolin-4-one;3-(2,6-difluorophenyl)-2-[(E)-2-(2-hydroxy-3-methoxyphenyl)ethenyl]quinazolin-4-one;2-[(E)-2-(2-hydroxy-3-methoxyphenyl)ethenyl]-3-(3-methoxyphenyl)quinazolin-4-one?

The InChIKey is ZWFSOVNSSNNGMN-WCBMMICXSA-N. The full InChI is InChI=1S/C29H24N2O8.C26H22F2N2O3.C24H18F2N2O3.C24H20N2O4.C23H16F2N2O3/c1-17(32)37-23-12-8-13-24(38-18(2)33)27(23)31-26(30-22-11-6-5-10-21(22)29(31)35)16-15-20-9-7-14-25(36-4)28(20)39-19(3)34;1-16-8-6-9-17(2)23(16)30-22(29-20-12-5-4-11-19(20)25(30)32)15-14-18-10-7-13-21(24(18)31)33-26(3,27)28;1-2-31-20-12-5-7-15(23(20)29)13-14-21-27-19-11-4-3-8-16(19)24(30)28(21)22-17(25)9-6-10-18(22)26;1-29-18-9-6-8-17(15-18)26-22(25-20-11-4-3-10-19(20)24(26)28)14-13-16-7-5-12-21(30-2)23(16)27;1-30-19-11-4-6-14(22(19)28)12-13-20-26-18-10-3-2-7-15(18)23(29)27(20)21-16(24)8-5-9-17(21)25/h5-16H,1-4H3;4-15,31H,1-3H3;3-14,29H,2H2,1H3;3-15,27H,1-2H3;2-13,28H,1H3/b16-15+;15-14+;2*14-13+;13-12+.

What are the key properties of [3-acetyloxy-2-[2-[(E)-2-(2-acetyloxy-3-methoxyphenyl)ethenyl]-4-oxoquinazolin-3-yl]phenyl] acetate;2-[(E)-2-[3-(1,1-difluoroethoxy)-2-hydroxyphenyl]ethenyl]-3-(2,6-dimethylphenyl)quinazolin-4-one;3-(2,6-difluorophenyl)-2-[(E)-2-(3-ethoxy-2-hydroxyphenyl)ethenyl]quinazolin-4-one;3-(2,6-difluorophenyl)-2-[(E)-2-(2-hydroxy-3-methoxyphenyl)ethenyl]quinazolin-4-one;2-[(E)-2-(2-hydroxy-3-methoxyphenyl)ethenyl]-3-(3-methoxyphenyl)quinazolin-4-one?

[3-acetyloxy-2-[2-[(E)-2-(2-acetyloxy-3-methoxyphenyl)ethenyl]-4-oxoquinazolin-3-yl]phenyl] acetate;2-[(E)-2-[3-(1,1-difluoroethoxy)-2-hydroxyphenyl]ethenyl]-3-(2,6-dimethylphenyl)quinazolin-4-one;3-(2,6-difluorophenyl)-2-[(E)-2-(3-ethoxy-2-hydroxyphenyl)ethenyl]quinazolin-4-one;3-(2,6-difluorophenyl)-2-[(E)-2-(2-hydroxy-3-methoxyphenyl)ethenyl]quinazolin-4-one;2-[(E)-2-(2-hydroxy-3-methoxyphenyl)ethenyl]-3-(3-methoxyphenyl)quinazolin-4-one has a molecular weight of 2204.22 g/mol, XLogP of 23.98, 26 rotatable bonds, 4 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for [3-acetyloxy-2-[2-[(E)-2-(2-acetyloxy-3-methoxyphenyl)ethenyl]-4-oxoquinazolin-3-yl]phenyl] acetate;2-[(E)-2-[3-(1,1-difluoroethoxy)-2-hydroxyphenyl]ethenyl]-3-(2,6-dimethylphenyl)quinazolin-4-one;3-(2,6-difluorophenyl)-2-[(E)-2-(3-ethoxy-2-hydroxyphenyl)ethenyl]quinazolin-4-one;3-(2,6-difluorophenyl)-2-[(E)-2-(2-hydroxy-3-methoxyphenyl)ethenyl]quinazolin-4-one;2-[(E)-2-(2-hydroxy-3-methoxyphenyl)ethenyl]-3-(3-methoxyphenyl)quinazolin-4-one is sourced from PubChem (CID 162237333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).