1-[7-chloro-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]propan-1-one

C18H16ClN5O2 — CID 22912959

IUPAC1-[7-chloro-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]propan-1-one
SMILESCCC(=O)N1Cc2c(-c3noc(C4CC4)n3)ncn2-c2ccc(Cl)cc21
InChIInChI=1S/C18H16ClN5O2/c1-2-15(25)23-8-14-16(17-21-18(26-22-17)10-3-4-10)20-9-24(14)12-6-5-11(19)7-13(12)23/h5-7,9-10H,2-4,8H2,1H3
InChIKeyFPCAGSJPUGNDND-UHFFFAOYSA-N
MW369.81 g/mol
LogP3.71
Rot. Bonds3

About 1-[7-chloro-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]propan-1-one

1-[7-chloro-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]propan-1-one (PubChem CID 22912959) has the molecular formula C18H16ClN5O2 and a molecular weight of 369.81 g/mol. Its IUPAC name is 1-[7-chloro-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]propan-1-one.

Molecular Properties

Compound Name1-[7-chloro-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]propan-1-one
PubChem CID22912959
Molecular FormulaC18H16ClN5O2
Molecular Weight369.81 g/mol
Exact Mass369.10
IUPAC Name1-[7-chloro-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]propan-1-one
SMILESCCC(=O)N1Cc2c(-c3noc(C4CC4)n3)ncn2-c2ccc(Cl)cc21
InChIInChI=1S/C18H16ClN5O2/c1-2-15(25)23-8-14-16(17-21-18(26-22-17)10-3-4-10)20-9-24(14)12-6-5-11(19)7-13(12)23/h5-7,9-10H,2-4,8H2,1H3
InChIKeyFPCAGSJPUGNDND-UHFFFAOYSA-N
XLogP3.71
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.81
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[7-chloro-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]propan-1-one?
The IUPAC name of 1-[7-chloro-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]propan-1-one (CID 22912959) is 1-[7-chloro-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]propan-1-one.
What is the SMILES notation for 1-[7-chloro-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]propan-1-one?
The canonical SMILES for 1-[7-chloro-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]propan-1-one is CCC(=O)N1Cc2c(-c3noc(C4CC4)n3)ncn2-c2ccc(Cl)cc21.
What is the InChIKey of 1-[7-chloro-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]propan-1-one?
The InChIKey is FPCAGSJPUGNDND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN5O2/c1-2-15(25)23-8-14-16(17-21-18(26-22-17)10-3-4-10)20-9-24(14)12-6-5-11(19)7-13(12)23/h5-7,9-10H,2-4,8H2,1H3.
What are the key properties of 1-[7-chloro-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]propan-1-one?
1-[7-chloro-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]propan-1-one has a molecular weight of 369.81 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-chloro-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]propan-1-one is sourced from PubChem (CID 22912959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).