tert-butyl 6-chloro-5-(pyrrolidine-1-carbonyl)-4H-imidazo[1,5-a]quinoxaline-3-carboxylate

C20H23ClN4O3 — CID 22912835

IUPACtert-butyl 6-chloro-5-(pyrrolidine-1-carbonyl)-4H-imidazo[1,5-a]quinoxaline-3-carboxylate
SMILESCC(C)(C)OC(=O)c1ncn2c1CN(C(=O)N1CCCC1)c1c(Cl)cccc1-2
InChIInChI=1S/C20H23ClN4O3/c1-20(2,3)28-18(26)16-15-11-24(19(27)23-9-4-5-10-23)17-13(21)7-6-8-14(17)25(15)12-22-16/h6-8,12H,4-5,9-11H2,1-3H3
InChIKeyFDDZURBEAVPQRE-UHFFFAOYSA-N
MW402.88 g/mol
LogP4.02
Rot. Bonds1

About tert-butyl 6-chloro-5-(pyrrolidine-1-carbonyl)-4H-imidazo[1,5-a]quinoxaline-3-carboxylate

tert-butyl 6-chloro-5-(pyrrolidine-1-carbonyl)-4H-imidazo[1,5-a]quinoxaline-3-carboxylate (PubChem CID 22912835) has the molecular formula C20H23ClN4O3 and a molecular weight of 402.88 g/mol. Its IUPAC name is tert-butyl 6-chloro-5-(pyrrolidine-1-carbonyl)-4H-imidazo[1,5-a]quinoxaline-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-chloro-5-(pyrrolidine-1-carbonyl)-4H-imidazo[1,5-a]quinoxaline-3-carboxylate
PubChem CID22912835
Molecular FormulaC20H23ClN4O3
Molecular Weight402.88 g/mol
Exact Mass402.15
IUPAC Nametert-butyl 6-chloro-5-(pyrrolidine-1-carbonyl)-4H-imidazo[1,5-a]quinoxaline-3-carboxylate
SMILESCC(C)(C)OC(=O)c1ncn2c1CN(C(=O)N1CCCC1)c1c(Cl)cccc1-2
InChIInChI=1S/C20H23ClN4O3/c1-20(2,3)28-18(26)16-15-11-24(19(27)23-9-4-5-10-23)17-13(21)7-6-8-14(17)25(15)12-22-16/h6-8,12H,4-5,9-11H2,1-3H3
InChIKeyFDDZURBEAVPQRE-UHFFFAOYSA-N
XLogP4.02
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.88
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 5-[(3R,5S)-3,5-dimethylpiperazine-1-carbonyl]-6-methyl-4H-imidazo[1,5-a]quinoxaline-3-carboxylate
CID 10812312
[6-chloro-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone
CID 10501746
tert-butyl 7-methyl-5-[(3R)-3-methylpiperazine-1-carbonyl]-4H-imidazo[1,5-a]quinoxaline-3-carboxylate
CID 10740368
tert-butyl 6-chloro-5-(dimethylcarbamoyl)-4,4-dimethylimidazo[1,5-a]quinoxaline-3-carboxylate
CID 22912879
tert-butyl 7-fluoro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate
CID 71521315
tert-butyl 8-chloro-5-methyl-6-oxo-10-tritio-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate
CID 10337916
(3-phenyl-4H-imidazo[1,5-a]quinoxalin-5-yl)-pyrrolidin-1-ylmethanone
CID 10665138
tert-butyl 5-[[(2S)-2-aminopropyl]-(2-hydroxyethyl)carbamoyl]-7-chloro-4H-imidazo[1,5-a]quinoxaline-3-carboxylate
CID 10599636
tert-butyl 4-[3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxaline-5-carbonyl]piperazine-1-carboxylate
CID 54334985
3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-6-chloro-N,N-dimethyl-4H-imidazo[1,5-a]quinoxaline-5-carboxamide
CID 22912954
tert-butyl 5-methyl-8-nitro-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate
CID 10066952
tert-butyl 8-(dimethylamino)-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate
CID 10808192

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-chloro-5-(pyrrolidine-1-carbonyl)-4H-imidazo[1,5-a]quinoxaline-3-carboxylate?
The IUPAC name of tert-butyl 6-chloro-5-(pyrrolidine-1-carbonyl)-4H-imidazo[1,5-a]quinoxaline-3-carboxylate (CID 22912835) is tert-butyl 6-chloro-5-(pyrrolidine-1-carbonyl)-4H-imidazo[1,5-a]quinoxaline-3-carboxylate.
What is the SMILES notation for tert-butyl 6-chloro-5-(pyrrolidine-1-carbonyl)-4H-imidazo[1,5-a]quinoxaline-3-carboxylate?
The canonical SMILES for tert-butyl 6-chloro-5-(pyrrolidine-1-carbonyl)-4H-imidazo[1,5-a]quinoxaline-3-carboxylate is CC(C)(C)OC(=O)c1ncn2c1CN(C(=O)N1CCCC1)c1c(Cl)cccc1-2.
What is the InChIKey of tert-butyl 6-chloro-5-(pyrrolidine-1-carbonyl)-4H-imidazo[1,5-a]quinoxaline-3-carboxylate?
The InChIKey is FDDZURBEAVPQRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4O3/c1-20(2,3)28-18(26)16-15-11-24(19(27)23-9-4-5-10-23)17-13(21)7-6-8-14(17)25(15)12-22-16/h6-8,12H,4-5,9-11H2,1-3H3.
What are the key properties of tert-butyl 6-chloro-5-(pyrrolidine-1-carbonyl)-4H-imidazo[1,5-a]quinoxaline-3-carboxylate?
tert-butyl 6-chloro-5-(pyrrolidine-1-carbonyl)-4H-imidazo[1,5-a]quinoxaline-3-carboxylate has a molecular weight of 402.88 g/mol, XLogP of 4.02, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-chloro-5-(pyrrolidine-1-carbonyl)-4H-imidazo[1,5-a]quinoxaline-3-carboxylate is sourced from PubChem (CID 22912835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).