tert-butyl 5-(dimethylcarbamoyl)imidazo[1,5-a]quinoline-3-carboxylate

C19H21N3O3 — CID 127045096

IUPACtert-butyl 5-(dimethylcarbamoyl)imidazo[1,5-a]quinoline-3-carboxylate
SMILESCN(C)C(=O)c1cc2c(C(=O)OC(C)(C)C)ncn2c2ccccc12
InChIInChI=1S/C19H21N3O3/c1-19(2,3)25-18(24)16-15-10-13(17(23)21(4)5)12-8-6-7-9-14(12)22(15)11-20-16/h6-11H,1-5H3
InChIKeyJAFCXUVKFIWEFT-UHFFFAOYSA-N
MW339.40 g/mol
LogP3.14
Rot. Bonds2

About tert-butyl 5-(dimethylcarbamoyl)imidazo[1,5-a]quinoline-3-carboxylate

tert-butyl 5-(dimethylcarbamoyl)imidazo[1,5-a]quinoline-3-carboxylate (PubChem CID 127045096) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is tert-butyl 5-(dimethylcarbamoyl)imidazo[1,5-a]quinoline-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-(dimethylcarbamoyl)imidazo[1,5-a]quinoline-3-carboxylate
PubChem CID127045096
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Nametert-butyl 5-(dimethylcarbamoyl)imidazo[1,5-a]quinoline-3-carboxylate
SMILESCN(C)C(=O)c1cc2c(C(=O)OC(C)(C)C)ncn2c2ccccc12
InChIInChI=1S/C19H21N3O3/c1-19(2,3)25-18(24)16-15-10-13(17(23)21(4)5)12-8-6-7-9-14(12)22(15)11-20-16/h6-11H,1-5H3
InChIKeyJAFCXUVKFIWEFT-UHFFFAOYSA-N
XLogP3.14
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl 5-(dimethylcarbamoyl)imidazo[1,5-a]quinoline-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 tert-butyl 5-(dimethylcarbamoyl)imidazo[1,5-a]quinoline-3-carboxylate?
The IUPAC name of tert-butyl 5-(dimethylcarbamoyl)imidazo[1,5-a]quinoline-3-carboxylate (CID 127045096) is tert-butyl 5-(dimethylcarbamoyl)imidazo[1,5-a]quinoline-3-carboxylate.
What is the SMILES notation for tert-butyl 5-(dimethylcarbamoyl)imidazo[1,5-a]quinoline-3-carboxylate?
The canonical SMILES for tert-butyl 5-(dimethylcarbamoyl)imidazo[1,5-a]quinoline-3-carboxylate is CN(C)C(=O)c1cc2c(C(=O)OC(C)(C)C)ncn2c2ccccc12.
What is the InChIKey of tert-butyl 5-(dimethylcarbamoyl)imidazo[1,5-a]quinoline-3-carboxylate?
The InChIKey is JAFCXUVKFIWEFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-19(2,3)25-18(24)16-15-10-13(17(23)21(4)5)12-8-6-7-9-14(12)22(15)11-20-16/h6-11H,1-5H3.
What are the key properties of tert-butyl 5-(dimethylcarbamoyl)imidazo[1,5-a]quinoline-3-carboxylate?
tert-butyl 5-(dimethylcarbamoyl)imidazo[1,5-a]quinoline-3-carboxylate has a molecular weight of 339.40 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-(dimethylcarbamoyl)imidazo[1,5-a]quinoline-3-carboxylate is sourced from PubChem (CID 127045096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).