2-[2-(4-hydroxy-3,5-dimethoxyphenyl)-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide

C20H23N3O5 — CID 55598140

IUPAC2-[2-(4-hydroxy-3,5-dimethoxyphenyl)-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1c2ccccc2C(=O)N(C)C1c1cc(OC)c(O)c(OC)c1
InChIInChI=1S/C20H23N3O5/c1-21-17(24)11-23-14-8-6-5-7-13(14)20(26)22(2)19(23)12-9-15(27-3)18(25)16(10-12)28-4/h5-10,19,25H,11H2,1-4H3,(H,21,24)
InChIKeyMFPRXGMPEULSAQ-UHFFFAOYSA-N
MW385.42 g/mol
LogP1.75
Rot. Bonds5

About 2-[2-(4-hydroxy-3,5-dimethoxyphenyl)-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide

2-[2-(4-hydroxy-3,5-dimethoxyphenyl)-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide (PubChem CID 55598140) has the molecular formula C20H23N3O5 and a molecular weight of 385.42 g/mol. Its IUPAC name is 2-[2-(4-hydroxy-3,5-dimethoxyphenyl)-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[2-(4-hydroxy-3,5-dimethoxyphenyl)-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide
PubChem CID55598140
Molecular FormulaC20H23N3O5
Molecular Weight385.42 g/mol
Exact Mass385.16
IUPAC Name2-[2-(4-hydroxy-3,5-dimethoxyphenyl)-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1c2ccccc2C(=O)N(C)C1c1cc(OC)c(O)c(OC)c1
InChIInChI=1S/C20H23N3O5/c1-21-17(24)11-23-14-8-6-5-7-13(14)20(26)22(2)19(23)12-9-15(27-3)18(25)16(10-12)28-4/h5-10,19,25H,11H2,1-4H3,(H,21,24)
InChIKeyMFPRXGMPEULSAQ-UHFFFAOYSA-N
XLogP1.75
TPSA91.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[2-(4-hydroxy-3,5-dimethoxyphenyl)-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-hydroxy-3,5-dimethoxyphenyl)-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide?
The IUPAC name of 2-[2-(4-hydroxy-3,5-dimethoxyphenyl)-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide (CID 55598140) is 2-[2-(4-hydroxy-3,5-dimethoxyphenyl)-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[2-(4-hydroxy-3,5-dimethoxyphenyl)-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[2-(4-hydroxy-3,5-dimethoxyphenyl)-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide is CNC(=O)CN1c2ccccc2C(=O)N(C)C1c1cc(OC)c(O)c(OC)c1.
What is the InChIKey of 2-[2-(4-hydroxy-3,5-dimethoxyphenyl)-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide?
The InChIKey is MFPRXGMPEULSAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O5/c1-21-17(24)11-23-14-8-6-5-7-13(14)20(26)22(2)19(23)12-9-15(27-3)18(25)16(10-12)28-4/h5-10,19,25H,11H2,1-4H3,(H,21,24).
What are the key properties of 2-[2-(4-hydroxy-3,5-dimethoxyphenyl)-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide?
2-[2-(4-hydroxy-3,5-dimethoxyphenyl)-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide has a molecular weight of 385.42 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-hydroxy-3,5-dimethoxyphenyl)-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide is sourced from PubChem (CID 55598140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).