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

C18H17ClN6O2 — CID 10833939

IUPAC7-chloro-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N,N-dimethyl-4H-imidazo[1,5-a]quinoxaline-5-carboxamide
SMILESCN(C)C(=O)N1Cc2c(-c3noc(C4CC4)n3)ncn2-c2ccc(Cl)cc21
InChIInChI=1S/C18H17ClN6O2/c1-23(2)18(26)24-8-14-15(16-21-17(27-22-16)10-3-4-10)20-9-25(14)12-6-5-11(19)7-13(12)24/h5-7,9-10H,3-4,8H2,1-2H3
InChIKeyQGXZZFITMZBWLW-UHFFFAOYSA-N
MW384.83 g/mol
LogP3.45
Rot. Bonds2

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

7-chloro-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N,N-dimethyl-4H-imidazo[1,5-a]quinoxaline-5-carboxamide (PubChem CID 10833939) has the molecular formula C18H17ClN6O2 and a molecular weight of 384.83 g/mol. Its IUPAC name is 7-chloro-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N,N-dimethyl-4H-imidazo[1,5-a]quinoxaline-5-carboxamide.

Molecular Properties

Compound Name7-chloro-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N,N-dimethyl-4H-imidazo[1,5-a]quinoxaline-5-carboxamide
PubChem CID10833939
Molecular FormulaC18H17ClN6O2
Molecular Weight384.83 g/mol
Exact Mass384.11
IUPAC Name7-chloro-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N,N-dimethyl-4H-imidazo[1,5-a]quinoxaline-5-carboxamide
SMILESCN(C)C(=O)N1Cc2c(-c3noc(C4CC4)n3)ncn2-c2ccc(Cl)cc21
InChIInChI=1S/C18H17ClN6O2/c1-23(2)18(26)24-8-14-15(16-21-17(27-22-16)10-3-4-10)20-9-25(14)12-6-5-11(19)7-13(12)24/h5-7,9-10H,3-4,8H2,1-2H3
InChIKeyQGXZZFITMZBWLW-UHFFFAOYSA-N
XLogP3.45
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.83
LogP ≤ 53.45
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-cyclopropyl-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-cyclopropyl-1,2,4-oxadiazol-3-yl)-N,N-dimethyl-4H-imidazo[1,5-a]quinoxaline-5-carboxamide (CID 10833939) is 7-chloro-3-(5-cyclopropyl-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-cyclopropyl-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-cyclopropyl-1,2,4-oxadiazol-3-yl)-N,N-dimethyl-4H-imidazo[1,5-a]quinoxaline-5-carboxamide is CN(C)C(=O)N1Cc2c(-c3noc(C4CC4)n3)ncn2-c2ccc(Cl)cc21.
What is the InChIKey of 7-chloro-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N,N-dimethyl-4H-imidazo[1,5-a]quinoxaline-5-carboxamide?
The InChIKey is QGXZZFITMZBWLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN6O2/c1-23(2)18(26)24-8-14-15(16-21-17(27-22-16)10-3-4-10)20-9-25(14)12-6-5-11(19)7-13(12)24/h5-7,9-10H,3-4,8H2,1-2H3.
What are the key properties of 7-chloro-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N,N-dimethyl-4H-imidazo[1,5-a]quinoxaline-5-carboxamide?
7-chloro-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N,N-dimethyl-4H-imidazo[1,5-a]quinoxaline-5-carboxamide has a molecular weight of 384.83 g/mol, XLogP of 3.45, 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-cyclopropyl-1,2,4-oxadiazol-3-yl)-N,N-dimethyl-4H-imidazo[1,5-a]quinoxaline-5-carboxamide is sourced from PubChem (CID 10833939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).