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

C18H19ClN6O2 — CID 22912824

IUPAC7-chloro-N,N-dimethyl-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxaline-5-carboxamide
SMILESCC(C)c1nc(-c2ncn3c2CN(C(=O)N(C)C)c2cc(Cl)ccc2-3)no1
InChIInChI=1S/C18H19ClN6O2/c1-10(2)17-21-16(22-27-17)15-14-8-24(18(26)23(3)4)13-7-11(19)5-6-12(13)25(14)9-20-15/h5-7,9-10H,8H2,1-4H3
InChIKeyQPVGLFITRAKLFA-UHFFFAOYSA-N
MW386.84 g/mol
LogP3.70
Rot. Bonds2

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

7-chloro-N,N-dimethyl-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxaline-5-carboxamide (PubChem CID 22912824) has the molecular formula C18H19ClN6O2 and a molecular weight of 386.84 g/mol. Its IUPAC name is 7-chloro-N,N-dimethyl-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxaline-5-carboxamide.

Molecular Properties

Compound Name7-chloro-N,N-dimethyl-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxaline-5-carboxamide
PubChem CID22912824
Molecular FormulaC18H19ClN6O2
Molecular Weight386.84 g/mol
Exact Mass386.13
IUPAC Name7-chloro-N,N-dimethyl-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxaline-5-carboxamide
SMILESCC(C)c1nc(-c2ncn3c2CN(C(=O)N(C)C)c2cc(Cl)ccc2-3)no1
InChIInChI=1S/C18H19ClN6O2/c1-10(2)17-21-16(22-27-17)15-14-8-24(18(26)23(3)4)13-7-11(19)5-6-12(13)25(14)9-20-15/h5-7,9-10H,8H2,1-4H3
InChIKeyQPVGLFITRAKLFA-UHFFFAOYSA-N
XLogP3.70
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.84
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-N,N-dimethyl-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxaline-5-carboxamide?
The IUPAC name of 7-chloro-N,N-dimethyl-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxaline-5-carboxamide (CID 22912824) is 7-chloro-N,N-dimethyl-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxaline-5-carboxamide.
What is the SMILES notation for 7-chloro-N,N-dimethyl-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxaline-5-carboxamide?
The canonical SMILES for 7-chloro-N,N-dimethyl-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxaline-5-carboxamide is CC(C)c1nc(-c2ncn3c2CN(C(=O)N(C)C)c2cc(Cl)ccc2-3)no1.
What is the InChIKey of 7-chloro-N,N-dimethyl-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxaline-5-carboxamide?
The InChIKey is QPVGLFITRAKLFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN6O2/c1-10(2)17-21-16(22-27-17)15-14-8-24(18(26)23(3)4)13-7-11(19)5-6-12(13)25(14)9-20-15/h5-7,9-10H,8H2,1-4H3.
What are the key properties of 7-chloro-N,N-dimethyl-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxaline-5-carboxamide?
7-chloro-N,N-dimethyl-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxaline-5-carboxamide has a molecular weight of 386.84 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N,N-dimethyl-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxaline-5-carboxamide is sourced from PubChem (CID 22912824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).