tert-butyl 5-(morpholine-4-carbonyl)-4H-imidazo[1,5-a]quinoxaline-3-carboxylate

C20H24N4O4 — CID 10810056

IUPACtert-butyl 5-(morpholine-4-carbonyl)-4H-imidazo[1,5-a]quinoxaline-3-carboxylate
SMILESCC(C)(C)OC(=O)c1ncn2c1CN(C(=O)N1CCOCC1)c1ccccc1-2
InChIInChI=1S/C20H24N4O4/c1-20(2,3)28-18(25)17-16-12-23(19(26)22-8-10-27-11-9-22)14-6-4-5-7-15(14)24(16)13-21-17/h4-7,13H,8-12H2,1-3H3
InChIKeyAUVJTUHQUMCXBP-UHFFFAOYSA-N
MW384.44 g/mol
LogP2.60
Rot. Bonds1

About tert-butyl 5-(morpholine-4-carbonyl)-4H-imidazo[1,5-a]quinoxaline-3-carboxylate

tert-butyl 5-(morpholine-4-carbonyl)-4H-imidazo[1,5-a]quinoxaline-3-carboxylate (PubChem CID 10810056) has the molecular formula C20H24N4O4 and a molecular weight of 384.44 g/mol. Its IUPAC name is tert-butyl 5-(morpholine-4-carbonyl)-4H-imidazo[1,5-a]quinoxaline-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-(morpholine-4-carbonyl)-4H-imidazo[1,5-a]quinoxaline-3-carboxylate
PubChem CID10810056
Molecular FormulaC20H24N4O4
Molecular Weight384.44 g/mol
Exact Mass384.18
IUPAC Nametert-butyl 5-(morpholine-4-carbonyl)-4H-imidazo[1,5-a]quinoxaline-3-carboxylate
SMILESCC(C)(C)OC(=O)c1ncn2c1CN(C(=O)N1CCOCC1)c1ccccc1-2
InChIInChI=1S/C20H24N4O4/c1-20(2,3)28-18(25)17-16-12-23(19(26)22-8-10-27-11-9-22)14-6-4-5-7-15(14)24(16)13-21-17/h4-7,13H,8-12H2,1-3H3
InChIKeyAUVJTUHQUMCXBP-UHFFFAOYSA-N
XLogP2.60
TPSA76.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze tert-butyl 5-(morpholine-4-carbonyl)-4H-imidazo[1,5-a]quinoxaline-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-(morpholine-4-carbonyl)-4H-imidazo[1,5-a]quinoxaline-3-carboxylate?
The IUPAC name of tert-butyl 5-(morpholine-4-carbonyl)-4H-imidazo[1,5-a]quinoxaline-3-carboxylate (CID 10810056) is tert-butyl 5-(morpholine-4-carbonyl)-4H-imidazo[1,5-a]quinoxaline-3-carboxylate.
What is the SMILES notation for tert-butyl 5-(morpholine-4-carbonyl)-4H-imidazo[1,5-a]quinoxaline-3-carboxylate?
The canonical SMILES for tert-butyl 5-(morpholine-4-carbonyl)-4H-imidazo[1,5-a]quinoxaline-3-carboxylate is CC(C)(C)OC(=O)c1ncn2c1CN(C(=O)N1CCOCC1)c1ccccc1-2.
What is the InChIKey of tert-butyl 5-(morpholine-4-carbonyl)-4H-imidazo[1,5-a]quinoxaline-3-carboxylate?
The InChIKey is AUVJTUHQUMCXBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O4/c1-20(2,3)28-18(25)17-16-12-23(19(26)22-8-10-27-11-9-22)14-6-4-5-7-15(14)24(16)13-21-17/h4-7,13H,8-12H2,1-3H3.
What are the key properties of tert-butyl 5-(morpholine-4-carbonyl)-4H-imidazo[1,5-a]quinoxaline-3-carboxylate?
tert-butyl 5-(morpholine-4-carbonyl)-4H-imidazo[1,5-a]quinoxaline-3-carboxylate has a molecular weight of 384.44 g/mol, XLogP of 2.60, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-(morpholine-4-carbonyl)-4H-imidazo[1,5-a]quinoxaline-3-carboxylate is sourced from PubChem (CID 10810056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).