2-[3-(2,4-dimethoxyphenyl)-2,4-dioxoquinazolin-1-yl]-N-(2-phenylethyl)acetamide

C26H25N3O5 — CID 15988258

IUPAC2-[3-(2,4-dimethoxyphenyl)-2,4-dioxoquinazolin-1-yl]-N-(2-phenylethyl)acetamide
SMILESCOc1ccc(-n2c(=O)c3ccccc3n(CC(=O)NCCc3ccccc3)c2=O)c(OC)c1
InChIInChI=1S/C26H25N3O5/c1-33-19-12-13-22(23(16-19)34-2)29-25(31)20-10-6-7-11-21(20)28(26(29)32)17-24(30)27-15-14-18-8-4-3-5-9-18/h3-13,16H,14-15,17H2,1-2H3,(H,27,30)
InChIKeyYMGDRKONKPRJKA-UHFFFAOYSA-N
MW459.50 g/mol
LogP2.53
Rot. Bonds8

About 2-[3-(2,4-dimethoxyphenyl)-2,4-dioxoquinazolin-1-yl]-N-(2-phenylethyl)acetamide

2-[3-(2,4-dimethoxyphenyl)-2,4-dioxoquinazolin-1-yl]-N-(2-phenylethyl)acetamide (PubChem CID 15988258) has the molecular formula C26H25N3O5 and a molecular weight of 459.50 g/mol. Its IUPAC name is 2-[3-(2,4-dimethoxyphenyl)-2,4-dioxoquinazolin-1-yl]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[3-(2,4-dimethoxyphenyl)-2,4-dioxoquinazolin-1-yl]-N-(2-phenylethyl)acetamide
PubChem CID15988258
Molecular FormulaC26H25N3O5
Molecular Weight459.50 g/mol
Exact Mass459.18
IUPAC Name2-[3-(2,4-dimethoxyphenyl)-2,4-dioxoquinazolin-1-yl]-N-(2-phenylethyl)acetamide
SMILESCOc1ccc(-n2c(=O)c3ccccc3n(CC(=O)NCCc3ccccc3)c2=O)c(OC)c1
InChIInChI=1S/C26H25N3O5/c1-33-19-12-13-22(23(16-19)34-2)29-25(31)20-10-6-7-11-21(20)28(26(29)32)17-24(30)27-15-14-18-8-4-3-5-9-18/h3-13,16H,14-15,17H2,1-2H3,(H,27,30)
InChIKeyYMGDRKONKPRJKA-UHFFFAOYSA-N
XLogP2.53
TPSA91.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.50
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,4-dimethoxyphenyl)-2,4-dioxoquinazolin-1-yl]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[3-(2,4-dimethoxyphenyl)-2,4-dioxoquinazolin-1-yl]-N-(2-phenylethyl)acetamide (CID 15988258) is 2-[3-(2,4-dimethoxyphenyl)-2,4-dioxoquinazolin-1-yl]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[3-(2,4-dimethoxyphenyl)-2,4-dioxoquinazolin-1-yl]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[3-(2,4-dimethoxyphenyl)-2,4-dioxoquinazolin-1-yl]-N-(2-phenylethyl)acetamide is COc1ccc(-n2c(=O)c3ccccc3n(CC(=O)NCCc3ccccc3)c2=O)c(OC)c1.
What is the InChIKey of 2-[3-(2,4-dimethoxyphenyl)-2,4-dioxoquinazolin-1-yl]-N-(2-phenylethyl)acetamide?
The InChIKey is YMGDRKONKPRJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O5/c1-33-19-12-13-22(23(16-19)34-2)29-25(31)20-10-6-7-11-21(20)28(26(29)32)17-24(30)27-15-14-18-8-4-3-5-9-18/h3-13,16H,14-15,17H2,1-2H3,(H,27,30).
What are the key properties of 2-[3-(2,4-dimethoxyphenyl)-2,4-dioxoquinazolin-1-yl]-N-(2-phenylethyl)acetamide?
2-[3-(2,4-dimethoxyphenyl)-2,4-dioxoquinazolin-1-yl]-N-(2-phenylethyl)acetamide has a molecular weight of 459.50 g/mol, XLogP of 2.53, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,4-dimethoxyphenyl)-2,4-dioxoquinazolin-1-yl]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 15988258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).