2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-[4-[2-(6-methoxynaphthalen-2-yl)ethynyl]-2-methylphenyl]quinazolin-4-one;2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-3-[4-[2-(6-methoxynaphthalen-2-yl)ethynyl]-2-methylphenyl]quinazolin-4-one;2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-3-[4-[2-(6-methoxynaphthalen-2-yl)ethynyl]-2-methylphenyl]quinazolin-4-one;2-[(E)-2-(4-hydroxy-2,3,5-trimethylphenyl)ethenyl]-3-[4-[2-(6-methoxynaphthalen-2-yl)ethynyl]-2-methylphenyl]quinazolin-4-one

C152H118N8O15 — CID 157362092

About 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-[4-[2-(6-methoxynaphthalen-2-yl)ethynyl]-2-methylphenyl]quinazolin-4-one;2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-3-[4-[2-(6-methoxynaphthalen-2-yl)ethynyl]-2-methylphenyl]quinazolin-4-one;2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-3-[4-[2-(6-methoxynaphthalen-2-yl)ethynyl]-2-methylphenyl]quinazolin-4-one;2-[(E)-2-(4-hydroxy-2,3,5-trimethylphenyl)ethenyl]-3-[4-[2-(6-methoxynaphthalen-2-yl)ethynyl]-2-methylphenyl]quinazolin-4-one

2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-[4-[2-(6-methoxynaphthalen-2-yl)ethynyl]-2-methylphenyl]quinazolin-4-one;2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-3-[4-[2-(6-methoxynaphthalen-2-yl)ethynyl]-2-methylphenyl]quinazolin-4-one;2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-3-[4-[2-(6-methoxynaphthalen-2-yl)ethynyl]-2-methylphenyl]quinazolin-4-one;2-[(E)-2-(4-hydroxy-2,3,5-trimethylphenyl)ethenyl]-3-[4-[2-(6-methoxynaphthalen-2-yl)ethynyl]-2-methylphenyl]quinazolin-4-one (PubChem CID 157362092) has the molecular formula C152H118N8O15 and a molecular weight of 2296.66 g/mol. Its IUPAC name is 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-[4-[2-(6-methoxynaphthalen-2-yl)ethynyl]-2-methylphenyl]quinazolin-4-one;2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-3-[4-[2-(6-methoxynaphthalen-2-yl)ethynyl]-2-methylphenyl]quinazolin-4-one;2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-3-[4-[2-(6-methoxynaphthalen-2-yl)ethynyl]-2-methylphenyl]quinazolin-4-one;2-[(E)-2-(4-hydroxy-2,3,5-trimethylphenyl)ethenyl]-3-[4-[2-(6-methoxynaphthalen-2-yl)ethynyl]-2-methylphenyl]quinazolin-4-one.

Molecular Properties

• Compound Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-[4-[2-(6-methoxynaphthalen-2-yl)ethynyl]-2-methylphenyl]quinazolin-4-one;2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-3-[4-[2-(6-methoxynaphthalen-2-yl)ethynyl]-2-methylphenyl]quinazolin-4-one;2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-3-[4-[2-(6-methoxynaphthalen-2-yl)ethynyl]-2-methylphenyl]quinazolin-4-one;2-[(E)-2-(4-hydroxy-2,3,5-trimethylphenyl)ethenyl]-3-[4-[2-(6-methoxynaphthalen-2-yl)ethynyl]-2-methylphenyl]quinazolin-4-one
• PubChem CID: 157362092
• Molecular Formula: C152H118N8O15
• Molecular Weight: 2296.66 g/mol
• Exact Mass: 2294.87
• IUPAC Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-[4-[2-(6-methoxynaphthalen-2-yl)ethynyl]-2-methylphenyl]quinazolin-4-one;2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-3-[4-[2-(6-methoxynaphthalen-2-yl)ethynyl]-2-methylphenyl]quinazolin-4-one;2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-3-[4-[2-(6-methoxynaphthalen-2-yl)ethynyl]-2-methylphenyl]quinazolin-4-one;2-[(E)-2-(4-hydroxy-2,3,5-trimethylphenyl)ethenyl]-3-[4-[2-(6-methoxynaphthalen-2-yl)ethynyl]-2-methylphenyl]quinazolin-4-one
• SMILES: COc1ccc(/C=C/c2nc3ccccc3c(=O)n2-c2ccc(C#Cc3ccc4cc(OC)ccc4c3)cc2C)c(OC)c1.COc1ccc2cc(C#Cc3ccc(-n4c(/C=C/c5cc(C)c(O)c(C)c5C)nc5ccccc5c4=O)c(C)c3)ccc2c1.COc1ccc2cc(C#Cc3ccc(-n4c(/C=C/c5ccc(OC)c(OC)c5)nc5ccccc5c4=O)c(C)c3)ccc2c1.COc1ccc2cc(C#Cc3ccc(-n4c(/C=C/c5ccc6c(c5)OCO6)nc5ccccc5c4=O)c(C)c3)ccc2c1
• InChI: InChI=1S/C39H32N2O3.2C38H30N2O4.C37H26N2O4/c1-24-20-28(10-11-29-12-14-32-23-33(44-5)17-15-31(32)22-29)13-18-36(24)41-37(40-35-9-7-6-8-34(35)39(41)43)19-16-30-21-25(2)38(42)27(4)26(30)3;1-25-21-26(9-10-27-11-15-30-24-31(42-2)17-16-29(30)22-27)12-18-34(25)40-37(39-33-8-6-5-7-32(33)38(40)41)20-14-28-13-19-35(43-3)36(23-28)44-4;1-25-21-26(9-10-27-11-13-30-23-31(42-2)18-15-29(30)22-27)12-19-35(25)40-37(39-34-8-6-5-7-33(34)38(40)41)20-16-28-14-17-32(43-3)24-36(28)44-4;1-24-19-25(7-8-26-9-13-29-22-30(41-2)15-14-28(29)20-26)10-16-33(24)39-36(38-32-6-4-3-5-31(32)37(39)40)18-12-27-11-17-34-35(21-27)43-23-42-34/h6-9,12-23,42H,1-5H3;2*5-8,11-24H,1-4H3;3-6,9-22H,23H2,1-2H3/b19-16+;20-14+;20-16+;18-12+
• InChIKey: BITIUBMKQRBXAL-XJMZHPKHSA-N
• XLogP: 30.10
• TPSA: 252.09 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 23
• Rotatable Bonds: 20
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2296.66
LogP ≤ 5	30.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-[4-[2-(6-methoxynaphthalen-2-yl)ethynyl]-2-methylphenyl]quinazolin-4-one;2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-3-[4-[2-(6-methoxynaphthalen-2-yl)ethynyl]-2-methylphenyl]quinazolin-4-one;2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-3-[4-[2-(6-methoxynaphthalen-2-yl)ethynyl]-2-methylphenyl]quinazolin-4-one;2-[(E)-2-(4-hydroxy-2,3,5-trimethylphenyl)ethenyl]-3-[4-[2-(6-methoxynaphthalen-2-yl)ethynyl]-2-methylphenyl]quinazolin-4-one?

The IUPAC name of 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-[4-[2-(6-methoxynaphthalen-2-yl)ethynyl]-2-methylphenyl]quinazolin-4-one;2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-3-[4-[2-(6-methoxynaphthalen-2-yl)ethynyl]-2-methylphenyl]quinazolin-4-one;2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-3-[4-[2-(6-methoxynaphthalen-2-yl)ethynyl]-2-methylphenyl]quinazolin-4-one;2-[(E)-2-(4-hydroxy-2,3,5-trimethylphenyl)ethenyl]-3-[4-[2-(6-methoxynaphthalen-2-yl)ethynyl]-2-methylphenyl]quinazolin-4-one (CID 157362092) is 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-[4-[2-(6-methoxynaphthalen-2-yl)ethynyl]-2-methylphenyl]quinazolin-4-one;2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-3-[4-[2-(6-methoxynaphthalen-2-yl)ethynyl]-2-methylphenyl]quinazolin-4-one;2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-3-[4-[2-(6-methoxynaphthalen-2-yl)ethynyl]-2-methylphenyl]quinazolin-4-one;2-[(E)-2-(4-hydroxy-2,3,5-trimethylphenyl)ethenyl]-3-[4-[2-(6-methoxynaphthalen-2-yl)ethynyl]-2-methylphenyl]quinazolin-4-one.

What is the SMILES notation for 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-[4-[2-(6-methoxynaphthalen-2-yl)ethynyl]-2-methylphenyl]quinazolin-4-one;2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-3-[4-[2-(6-methoxynaphthalen-2-yl)ethynyl]-2-methylphenyl]quinazolin-4-one;2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-3-[4-[2-(6-methoxynaphthalen-2-yl)ethynyl]-2-methylphenyl]quinazolin-4-one;2-[(E)-2-(4-hydroxy-2,3,5-trimethylphenyl)ethenyl]-3-[4-[2-(6-methoxynaphthalen-2-yl)ethynyl]-2-methylphenyl]quinazolin-4-one?

The canonical SMILES for 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-[4-[2-(6-methoxynaphthalen-2-yl)ethynyl]-2-methylphenyl]quinazolin-4-one;2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-3-[4-[2-(6-methoxynaphthalen-2-yl)ethynyl]-2-methylphenyl]quinazolin-4-one;2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-3-[4-[2-(6-methoxynaphthalen-2-yl)ethynyl]-2-methylphenyl]quinazolin-4-one;2-[(E)-2-(4-hydroxy-2,3,5-trimethylphenyl)ethenyl]-3-[4-[2-(6-methoxynaphthalen-2-yl)ethynyl]-2-methylphenyl]quinazolin-4-one is COc1ccc(/C=C/c2nc3ccccc3c(=O)n2-c2ccc(C#Cc3ccc4cc(OC)ccc4c3)cc2C)c(OC)c1.COc1ccc2cc(C#Cc3ccc(-n4c(/C=C/c5cc(C)c(O)c(C)c5C)nc5ccccc5c4=O)c(C)c3)ccc2c1.COc1ccc2cc(C#Cc3ccc(-n4c(/C=C/c5ccc(OC)c(OC)c5)nc5ccccc5c4=O)c(C)c3)ccc2c1.COc1ccc2cc(C#Cc3ccc(-n4c(/C=C/c5ccc6c(c5)OCO6)nc5ccccc5c4=O)c(C)c3)ccc2c1.

What is the InChIKey of 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-[4-[2-(6-methoxynaphthalen-2-yl)ethynyl]-2-methylphenyl]quinazolin-4-one;2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-3-[4-[2-(6-methoxynaphthalen-2-yl)ethynyl]-2-methylphenyl]quinazolin-4-one;2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-3-[4-[2-(6-methoxynaphthalen-2-yl)ethynyl]-2-methylphenyl]quinazolin-4-one;2-[(E)-2-(4-hydroxy-2,3,5-trimethylphenyl)ethenyl]-3-[4-[2-(6-methoxynaphthalen-2-yl)ethynyl]-2-methylphenyl]quinazolin-4-one?

The InChIKey is BITIUBMKQRBXAL-XJMZHPKHSA-N. The full InChI is InChI=1S/C39H32N2O3.2C38H30N2O4.C37H26N2O4/c1-24-20-28(10-11-29-12-14-32-23-33(44-5)17-15-31(32)22-29)13-18-36(24)41-37(40-35-9-7-6-8-34(35)39(41)43)19-16-30-21-25(2)38(42)27(4)26(30)3;1-25-21-26(9-10-27-11-15-30-24-31(42-2)17-16-29(30)22-27)12-18-34(25)40-37(39-33-8-6-5-7-32(33)38(40)41)20-14-28-13-19-35(43-3)36(23-28)44-4;1-25-21-26(9-10-27-11-13-30-23-31(42-2)18-15-29(30)22-27)12-19-35(25)40-37(39-34-8-6-5-7-33(34)38(40)41)20-16-28-14-17-32(43-3)24-36(28)44-4;1-24-19-25(7-8-26-9-13-29-22-30(41-2)15-14-28(29)20-26)10-16-33(24)39-36(38-32-6-4-3-5-31(32)37(39)40)18-12-27-11-17-34-35(21-27)43-23-42-34/h6-9,12-23,42H,1-5H3;2*5-8,11-24H,1-4H3;3-6,9-22H,23H2,1-2H3/b19-16+;20-14+;20-16+;18-12+.

What are the key properties of 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-[4-[2-(6-methoxynaphthalen-2-yl)ethynyl]-2-methylphenyl]quinazolin-4-one;2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-3-[4-[2-(6-methoxynaphthalen-2-yl)ethynyl]-2-methylphenyl]quinazolin-4-one;2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-3-[4-[2-(6-methoxynaphthalen-2-yl)ethynyl]-2-methylphenyl]quinazolin-4-one;2-[(E)-2-(4-hydroxy-2,3,5-trimethylphenyl)ethenyl]-3-[4-[2-(6-methoxynaphthalen-2-yl)ethynyl]-2-methylphenyl]quinazolin-4-one?

2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-[4-[2-(6-methoxynaphthalen-2-yl)ethynyl]-2-methylphenyl]quinazolin-4-one;2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-3-[4-[2-(6-methoxynaphthalen-2-yl)ethynyl]-2-methylphenyl]quinazolin-4-one;2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-3-[4-[2-(6-methoxynaphthalen-2-yl)ethynyl]-2-methylphenyl]quinazolin-4-one;2-[(E)-2-(4-hydroxy-2,3,5-trimethylphenyl)ethenyl]-3-[4-[2-(6-methoxynaphthalen-2-yl)ethynyl]-2-methylphenyl]quinazolin-4-one has a molecular weight of 2296.66 g/mol, XLogP of 30.10, 20 rotatable bonds, 1 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-[4-[2-(6-methoxynaphthalen-2-yl)ethynyl]-2-methylphenyl]quinazolin-4-one;2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-3-[4-[2-(6-methoxynaphthalen-2-yl)ethynyl]-2-methylphenyl]quinazolin-4-one;2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-3-[4-[2-(6-methoxynaphthalen-2-yl)ethynyl]-2-methylphenyl]quinazolin-4-one;2-[(E)-2-(4-hydroxy-2,3,5-trimethylphenyl)ethenyl]-3-[4-[2-(6-methoxynaphthalen-2-yl)ethynyl]-2-methylphenyl]quinazolin-4-one is sourced from PubChem (CID 157362092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).