tert-butyl 7-chloro-5-(dimethylcarbamoyl)-4H-imidazo[1,5-a]quinoxaline-3-carboxylate

C18H21ClN4O3 — CID 10499798

IUPACtert-butyl 7-chloro-5-(dimethylcarbamoyl)-4H-imidazo[1,5-a]quinoxaline-3-carboxylate
SMILESCN(C)C(=O)N1Cc2c(C(=O)OC(C)(C)C)ncn2-c2ccc(Cl)cc21
InChIInChI=1S/C18H21ClN4O3/c1-18(2,3)26-16(24)15-14-9-22(17(25)21(4)5)13-8-11(19)6-7-12(13)23(14)10-20-15/h6-8,10H,9H2,1-5H3
InChIKeyYFBRPPGCEKVZFL-UHFFFAOYSA-N
MW376.84 g/mol
LogP3.48
Rot. Bonds1

About tert-butyl 7-chloro-5-(dimethylcarbamoyl)-4H-imidazo[1,5-a]quinoxaline-3-carboxylate

tert-butyl 7-chloro-5-(dimethylcarbamoyl)-4H-imidazo[1,5-a]quinoxaline-3-carboxylate (PubChem CID 10499798) has the molecular formula C18H21ClN4O3 and a molecular weight of 376.84 g/mol. Its IUPAC name is tert-butyl 7-chloro-5-(dimethylcarbamoyl)-4H-imidazo[1,5-a]quinoxaline-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 7-chloro-5-(dimethylcarbamoyl)-4H-imidazo[1,5-a]quinoxaline-3-carboxylate
PubChem CID10499798
Molecular FormulaC18H21ClN4O3
Molecular Weight376.84 g/mol
Exact Mass376.13
IUPAC Nametert-butyl 7-chloro-5-(dimethylcarbamoyl)-4H-imidazo[1,5-a]quinoxaline-3-carboxylate
SMILESCN(C)C(=O)N1Cc2c(C(=O)OC(C)(C)C)ncn2-c2ccc(Cl)cc21
InChIInChI=1S/C18H21ClN4O3/c1-18(2,3)26-16(24)15-14-9-22(17(25)21(4)5)13-8-11(19)6-7-12(13)23(14)10-20-15/h6-8,10H,9H2,1-5H3
InChIKeyYFBRPPGCEKVZFL-UHFFFAOYSA-N
XLogP3.48
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.84
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 7-chloro-5-(dimethylcarbamoyl)-4H-imidazo[1,5-a]quinoxaline-3-carboxylate?
The IUPAC name of tert-butyl 7-chloro-5-(dimethylcarbamoyl)-4H-imidazo[1,5-a]quinoxaline-3-carboxylate (CID 10499798) is tert-butyl 7-chloro-5-(dimethylcarbamoyl)-4H-imidazo[1,5-a]quinoxaline-3-carboxylate.
What is the SMILES notation for tert-butyl 7-chloro-5-(dimethylcarbamoyl)-4H-imidazo[1,5-a]quinoxaline-3-carboxylate?
The canonical SMILES for tert-butyl 7-chloro-5-(dimethylcarbamoyl)-4H-imidazo[1,5-a]quinoxaline-3-carboxylate is CN(C)C(=O)N1Cc2c(C(=O)OC(C)(C)C)ncn2-c2ccc(Cl)cc21.
What is the InChIKey of tert-butyl 7-chloro-5-(dimethylcarbamoyl)-4H-imidazo[1,5-a]quinoxaline-3-carboxylate?
The InChIKey is YFBRPPGCEKVZFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O3/c1-18(2,3)26-16(24)15-14-9-22(17(25)21(4)5)13-8-11(19)6-7-12(13)23(14)10-20-15/h6-8,10H,9H2,1-5H3.
What are the key properties of tert-butyl 7-chloro-5-(dimethylcarbamoyl)-4H-imidazo[1,5-a]quinoxaline-3-carboxylate?
tert-butyl 7-chloro-5-(dimethylcarbamoyl)-4H-imidazo[1,5-a]quinoxaline-3-carboxylate has a molecular weight of 376.84 g/mol, XLogP of 3.48, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 7-chloro-5-(dimethylcarbamoyl)-4H-imidazo[1,5-a]quinoxaline-3-carboxylate is sourced from PubChem (CID 10499798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).