tert-butyl 4-(3-chloro-6,7-dimethylquinoxalin-2-yl)piperazine-1-carboxylate

C19H25ClN4O2 — CID 166485451

IUPACtert-butyl 4-(3-chloro-6,7-dimethylquinoxalin-2-yl)piperazine-1-carboxylate
SMILESCc1cc2nc(Cl)c(N3CCN(C(=O)OC(C)(C)C)CC3)nc2cc1C
InChIInChI=1S/C19H25ClN4O2/c1-12-10-14-15(11-13(12)2)22-17(16(20)21-14)23-6-8-24(9-7-23)18(25)26-19(3,4)5/h10-11H,6-9H2,1-5H3
InChIKeyWFOOCKQKPGHFII-UHFFFAOYSA-N
MW376.89 g/mol
LogP3.96
Rot. Bonds1

About tert-butyl 4-(3-chloro-6,7-dimethylquinoxalin-2-yl)piperazine-1-carboxylate

tert-butyl 4-(3-chloro-6,7-dimethylquinoxalin-2-yl)piperazine-1-carboxylate (PubChem CID 166485451) has the molecular formula C19H25ClN4O2 and a molecular weight of 376.89 g/mol. Its IUPAC name is tert-butyl 4-(3-chloro-6,7-dimethylquinoxalin-2-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(3-chloro-6,7-dimethylquinoxalin-2-yl)piperazine-1-carboxylate
PubChem CID166485451
Molecular FormulaC19H25ClN4O2
Molecular Weight376.89 g/mol
Exact Mass376.17
IUPAC Nametert-butyl 4-(3-chloro-6,7-dimethylquinoxalin-2-yl)piperazine-1-carboxylate
SMILESCc1cc2nc(Cl)c(N3CCN(C(=O)OC(C)(C)C)CC3)nc2cc1C
InChIInChI=1S/C19H25ClN4O2/c1-12-10-14-15(11-13(12)2)22-17(16(20)21-14)23-6-8-24(9-7-23)18(25)26-19(3,4)5/h10-11H,6-9H2,1-5H3
InChIKeyWFOOCKQKPGHFII-UHFFFAOYSA-N
XLogP3.96
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.89
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl 4-(3-chloro-6,7-dimethylquinoxalin-2-yl)piperazine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 4-(2,5-diamino-6-chloropyrimidin-4-yl)piperazine-1-carboxylate
CID 50941487
tert-butyl 4-(6-bromo-3-chloroquinolin-2-yl)piperazine-1-carboxylate
CID 166485382
tert-butyl 4-(5-bromo-3-methyl-2-pyridinyl)piperazine-1-carboxylate
CID 46739269
tert-butyl 4-(5-amino-6-chloropyrimidin-4-yl)piperazine-1-carboxylate
CID 71748362
tert-butyl 4-[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]piperazine-1-carboxylate
CID 104933395
tert-butyl 4-(6-chloro-3-ethoxycarbonyl-2-pyridinyl)piperazine-1-carboxylate
CID 58229542
tert-butyl 4-(4-chloro-3-methylphenyl)piperazine-1-carboxylate;ethane
CID 143766632
tert-butyl 4-(2-chloro-5-fluoropyrimidin-4-yl)piperazine-1-carboxylate
CID 56763780
tert-butyl 4-(3-methoxy-2-pyridinyl)piperazine-1-carboxylate
CID 70571171
CID 178002085
CID 178002085
tert-butyl 4-[5,6-dichloro-2-(ethylamino)pyrimidin-4-yl]piperazine-1-carboxylate
CID 57443705
tert-butyl 4-(6-chloroisoquinolin-1-yl)piperazine-1-carboxylate
CID 176901250

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(3-chloro-6,7-dimethylquinoxalin-2-yl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(3-chloro-6,7-dimethylquinoxalin-2-yl)piperazine-1-carboxylate (CID 166485451) is tert-butyl 4-(3-chloro-6,7-dimethylquinoxalin-2-yl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(3-chloro-6,7-dimethylquinoxalin-2-yl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(3-chloro-6,7-dimethylquinoxalin-2-yl)piperazine-1-carboxylate is Cc1cc2nc(Cl)c(N3CCN(C(=O)OC(C)(C)C)CC3)nc2cc1C.
What is the InChIKey of tert-butyl 4-(3-chloro-6,7-dimethylquinoxalin-2-yl)piperazine-1-carboxylate?
The InChIKey is WFOOCKQKPGHFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN4O2/c1-12-10-14-15(11-13(12)2)22-17(16(20)21-14)23-6-8-24(9-7-23)18(25)26-19(3,4)5/h10-11H,6-9H2,1-5H3.
What are the key properties of tert-butyl 4-(3-chloro-6,7-dimethylquinoxalin-2-yl)piperazine-1-carboxylate?
tert-butyl 4-(3-chloro-6,7-dimethylquinoxalin-2-yl)piperazine-1-carboxylate has a molecular weight of 376.89 g/mol, XLogP of 3.96, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(3-chloro-6,7-dimethylquinoxalin-2-yl)piperazine-1-carboxylate is sourced from PubChem (CID 166485451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).