2-(3-benzyl-2,4-dioxoquinazolin-1-yl)-N-(5-chloro-2,4-dimethoxyphenyl)acetamide

C25H22ClN3O5 — CID 155322912

IUPAC2-(3-benzyl-2,4-dioxoquinazolin-1-yl)-N-(5-chloro-2,4-dimethoxyphenyl)acetamide
SMILESCOc1cc(OC)c(NC(=O)Cn2c(=O)n(Cc3ccccc3)c(=O)c3ccccc32)cc1Cl
InChIInChI=1S/C25H22ClN3O5/c1-33-21-13-22(34-2)19(12-18(21)26)27-23(30)15-28-20-11-7-6-10-17(20)24(31)29(25(28)32)14-16-8-4-3-5-9-16/h3-13H,14-15H2,1-2H3,(H,27,30)
InChIKeyQDFBWFPHLNJOAP-UHFFFAOYSA-N
MW479.92 g/mol
LogP3.52
Rot. Bonds7

About 2-(3-benzyl-2,4-dioxoquinazolin-1-yl)-N-(5-chloro-2,4-dimethoxyphenyl)acetamide

2-(3-benzyl-2,4-dioxoquinazolin-1-yl)-N-(5-chloro-2,4-dimethoxyphenyl)acetamide (PubChem CID 155322912) has the molecular formula C25H22ClN3O5 and a molecular weight of 479.92 g/mol. Its IUPAC name is 2-(3-benzyl-2,4-dioxoquinazolin-1-yl)-N-(5-chloro-2,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(3-benzyl-2,4-dioxoquinazolin-1-yl)-N-(5-chloro-2,4-dimethoxyphenyl)acetamide
PubChem CID155322912
Molecular FormulaC25H22ClN3O5
Molecular Weight479.92 g/mol
Exact Mass479.12
IUPAC Name2-(3-benzyl-2,4-dioxoquinazolin-1-yl)-N-(5-chloro-2,4-dimethoxyphenyl)acetamide
SMILESCOc1cc(OC)c(NC(=O)Cn2c(=O)n(Cc3ccccc3)c(=O)c3ccccc32)cc1Cl
InChIInChI=1S/C25H22ClN3O5/c1-33-21-13-22(34-2)19(12-18(21)26)27-23(30)15-28-20-11-7-6-10-17(20)24(31)29(25(28)32)14-16-8-4-3-5-9-16/h3-13H,14-15H2,1-2H3,(H,27,30)
InChIKeyQDFBWFPHLNJOAP-UHFFFAOYSA-N
XLogP3.52
TPSA91.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.92
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(3-benzyl-2,4-dioxoquinazolin-1-yl)-N-(5-chloro-2,4-dimethoxyphenyl)acetamide?
The IUPAC name of 2-(3-benzyl-2,4-dioxoquinazolin-1-yl)-N-(5-chloro-2,4-dimethoxyphenyl)acetamide (CID 155322912) is 2-(3-benzyl-2,4-dioxoquinazolin-1-yl)-N-(5-chloro-2,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-(3-benzyl-2,4-dioxoquinazolin-1-yl)-N-(5-chloro-2,4-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-(3-benzyl-2,4-dioxoquinazolin-1-yl)-N-(5-chloro-2,4-dimethoxyphenyl)acetamide is COc1cc(OC)c(NC(=O)Cn2c(=O)n(Cc3ccccc3)c(=O)c3ccccc32)cc1Cl.
What is the InChIKey of 2-(3-benzyl-2,4-dioxoquinazolin-1-yl)-N-(5-chloro-2,4-dimethoxyphenyl)acetamide?
The InChIKey is QDFBWFPHLNJOAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClN3O5/c1-33-21-13-22(34-2)19(12-18(21)26)27-23(30)15-28-20-11-7-6-10-17(20)24(31)29(25(28)32)14-16-8-4-3-5-9-16/h3-13H,14-15H2,1-2H3,(H,27,30).
What are the key properties of 2-(3-benzyl-2,4-dioxoquinazolin-1-yl)-N-(5-chloro-2,4-dimethoxyphenyl)acetamide?
2-(3-benzyl-2,4-dioxoquinazolin-1-yl)-N-(5-chloro-2,4-dimethoxyphenyl)acetamide has a molecular weight of 479.92 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzyl-2,4-dioxoquinazolin-1-yl)-N-(5-chloro-2,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 155322912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).