methyl 5-(2-methoxy-2-oxoethyl)-4-phenyl-5H-imidazo[1,5-a]quinazoline-3-carboxylate

C21H19N3O4 — CID 132526101

IUPACmethyl 5-(2-methoxy-2-oxoethyl)-4-phenyl-5H-imidazo[1,5-a]quinazoline-3-carboxylate
SMILESCOC(=O)CC1c2ccccc2-n2cnc(C(=O)OC)c2N1c1ccccc1
InChIInChI=1S/C21H19N3O4/c1-27-18(25)12-17-15-10-6-7-11-16(15)23-13-22-19(21(26)28-2)20(23)24(17)14-8-4-3-5-9-14/h3-11,13,17H,12H2,1-2H3
InChIKeyCTAJREZUAVTNKL-UHFFFAOYSA-N
MW377.40 g/mol
LogP3.41
Rot. Bonds4

About methyl 5-(2-methoxy-2-oxoethyl)-4-phenyl-5H-imidazo[1,5-a]quinazoline-3-carboxylate

methyl 5-(2-methoxy-2-oxoethyl)-4-phenyl-5H-imidazo[1,5-a]quinazoline-3-carboxylate (PubChem CID 132526101) has the molecular formula C21H19N3O4 and a molecular weight of 377.40 g/mol. Its IUPAC name is methyl 5-(2-methoxy-2-oxoethyl)-4-phenyl-5H-imidazo[1,5-a]quinazoline-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-(2-methoxy-2-oxoethyl)-4-phenyl-5H-imidazo[1,5-a]quinazoline-3-carboxylate
PubChem CID132526101
Molecular FormulaC21H19N3O4
Molecular Weight377.40 g/mol
Exact Mass377.14
IUPAC Namemethyl 5-(2-methoxy-2-oxoethyl)-4-phenyl-5H-imidazo[1,5-a]quinazoline-3-carboxylate
SMILESCOC(=O)CC1c2ccccc2-n2cnc(C(=O)OC)c2N1c1ccccc1
InChIInChI=1S/C21H19N3O4/c1-27-18(25)12-17-15-10-6-7-11-16(15)23-13-22-19(21(26)28-2)20(23)24(17)14-8-4-3-5-9-14/h3-11,13,17H,12H2,1-2H3
InChIKeyCTAJREZUAVTNKL-UHFFFAOYSA-N
XLogP3.41
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 5-(2-methoxy-2-oxoethyl)-4-phenyl-5H-imidazo[1,5-a]quinazoline-3-carboxylate 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 methyl 5-(2-methoxy-2-oxoethyl)-4-phenyl-5H-imidazo[1,5-a]quinazoline-3-carboxylate?
The IUPAC name of methyl 5-(2-methoxy-2-oxoethyl)-4-phenyl-5H-imidazo[1,5-a]quinazoline-3-carboxylate (CID 132526101) is methyl 5-(2-methoxy-2-oxoethyl)-4-phenyl-5H-imidazo[1,5-a]quinazoline-3-carboxylate.
What is the SMILES notation for methyl 5-(2-methoxy-2-oxoethyl)-4-phenyl-5H-imidazo[1,5-a]quinazoline-3-carboxylate?
The canonical SMILES for methyl 5-(2-methoxy-2-oxoethyl)-4-phenyl-5H-imidazo[1,5-a]quinazoline-3-carboxylate is COC(=O)CC1c2ccccc2-n2cnc(C(=O)OC)c2N1c1ccccc1.
What is the InChIKey of methyl 5-(2-methoxy-2-oxoethyl)-4-phenyl-5H-imidazo[1,5-a]quinazoline-3-carboxylate?
The InChIKey is CTAJREZUAVTNKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O4/c1-27-18(25)12-17-15-10-6-7-11-16(15)23-13-22-19(21(26)28-2)20(23)24(17)14-8-4-3-5-9-14/h3-11,13,17H,12H2,1-2H3.
What are the key properties of methyl 5-(2-methoxy-2-oxoethyl)-4-phenyl-5H-imidazo[1,5-a]quinazoline-3-carboxylate?
methyl 5-(2-methoxy-2-oxoethyl)-4-phenyl-5H-imidazo[1,5-a]quinazoline-3-carboxylate has a molecular weight of 377.40 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(2-methoxy-2-oxoethyl)-4-phenyl-5H-imidazo[1,5-a]quinazoline-3-carboxylate is sourced from PubChem (CID 132526101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).