7-chloro-3-(5-ethyl-1,2,4-oxadiazol-3-yl)-N,N-dimethyl-4H-imidazo[1,5-a]quinoxaline-5-carboxamide

C17H17ClN6O2 — CID 22912908

IUPAC7-chloro-3-(5-ethyl-1,2,4-oxadiazol-3-yl)-N,N-dimethyl-4H-imidazo[1,5-a]quinoxaline-5-carboxamide
SMILESCCc1nc(-c2ncn3c2CN(C(=O)N(C)C)c2cc(Cl)ccc2-3)no1
InChIInChI=1S/C17H17ClN6O2/c1-4-14-20-16(21-26-14)15-13-8-23(17(25)22(2)3)12-7-10(18)5-6-11(12)24(13)9-19-15/h5-7,9H,4,8H2,1-3H3
InChIKeyHWZXDZPSSOHPLF-UHFFFAOYSA-N
MW372.82 g/mol
LogP3.14
Rot. Bonds2

About 7-chloro-3-(5-ethyl-1,2,4-oxadiazol-3-yl)-N,N-dimethyl-4H-imidazo[1,5-a]quinoxaline-5-carboxamide

7-chloro-3-(5-ethyl-1,2,4-oxadiazol-3-yl)-N,N-dimethyl-4H-imidazo[1,5-a]quinoxaline-5-carboxamide (PubChem CID 22912908) has the molecular formula C17H17ClN6O2 and a molecular weight of 372.82 g/mol. Its IUPAC name is 7-chloro-3-(5-ethyl-1,2,4-oxadiazol-3-yl)-N,N-dimethyl-4H-imidazo[1,5-a]quinoxaline-5-carboxamide.

Molecular Properties

Compound Name7-chloro-3-(5-ethyl-1,2,4-oxadiazol-3-yl)-N,N-dimethyl-4H-imidazo[1,5-a]quinoxaline-5-carboxamide
PubChem CID22912908
Molecular FormulaC17H17ClN6O2
Molecular Weight372.82 g/mol
Exact Mass372.11
IUPAC Name7-chloro-3-(5-ethyl-1,2,4-oxadiazol-3-yl)-N,N-dimethyl-4H-imidazo[1,5-a]quinoxaline-5-carboxamide
SMILESCCc1nc(-c2ncn3c2CN(C(=O)N(C)C)c2cc(Cl)ccc2-3)no1
InChIInChI=1S/C17H17ClN6O2/c1-4-14-20-16(21-26-14)15-13-8-23(17(25)22(2)3)12-7-10(18)5-6-11(12)24(13)9-19-15/h5-7,9H,4,8H2,1-3H3
InChIKeyHWZXDZPSSOHPLF-UHFFFAOYSA-N
XLogP3.14
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.82
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-(5-ethyl-1,2,4-oxadiazol-3-yl)-N,N-dimethyl-4H-imidazo[1,5-a]quinoxaline-5-carboxamide?
The IUPAC name of 7-chloro-3-(5-ethyl-1,2,4-oxadiazol-3-yl)-N,N-dimethyl-4H-imidazo[1,5-a]quinoxaline-5-carboxamide (CID 22912908) is 7-chloro-3-(5-ethyl-1,2,4-oxadiazol-3-yl)-N,N-dimethyl-4H-imidazo[1,5-a]quinoxaline-5-carboxamide.
What is the SMILES notation for 7-chloro-3-(5-ethyl-1,2,4-oxadiazol-3-yl)-N,N-dimethyl-4H-imidazo[1,5-a]quinoxaline-5-carboxamide?
The canonical SMILES for 7-chloro-3-(5-ethyl-1,2,4-oxadiazol-3-yl)-N,N-dimethyl-4H-imidazo[1,5-a]quinoxaline-5-carboxamide is CCc1nc(-c2ncn3c2CN(C(=O)N(C)C)c2cc(Cl)ccc2-3)no1.
What is the InChIKey of 7-chloro-3-(5-ethyl-1,2,4-oxadiazol-3-yl)-N,N-dimethyl-4H-imidazo[1,5-a]quinoxaline-5-carboxamide?
The InChIKey is HWZXDZPSSOHPLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN6O2/c1-4-14-20-16(21-26-14)15-13-8-23(17(25)22(2)3)12-7-10(18)5-6-11(12)24(13)9-19-15/h5-7,9H,4,8H2,1-3H3.
What are the key properties of 7-chloro-3-(5-ethyl-1,2,4-oxadiazol-3-yl)-N,N-dimethyl-4H-imidazo[1,5-a]quinoxaline-5-carboxamide?
7-chloro-3-(5-ethyl-1,2,4-oxadiazol-3-yl)-N,N-dimethyl-4H-imidazo[1,5-a]quinoxaline-5-carboxamide has a molecular weight of 372.82 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-(5-ethyl-1,2,4-oxadiazol-3-yl)-N,N-dimethyl-4H-imidazo[1,5-a]quinoxaline-5-carboxamide is sourced from PubChem (CID 22912908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).