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

C20H23ClN6O2 — CID 57133209

IUPAC[7-chloro-3-(5-propan-2-yl-2H-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone
SMILESCC(C)C1=CN(c2ncn3c2CN(C(=O)N2CCCC2)c2cc(Cl)ccc2-3)NO1
InChIInChI=1S/C20H23ClN6O2/c1-13(2)18-11-27(23-29-18)19-17-10-25(20(28)24-7-3-4-8-24)16-9-14(21)5-6-15(16)26(17)12-22-19/h5-6,9,11-13,23H,3-4,7-8,10H2,1-2H3
InChIKeyUUQUDTPDNWRFTD-UHFFFAOYSA-N
MW414.90 g/mol
LogP3.82
Rot. Bonds2

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

[7-chloro-3-(5-propan-2-yl-2H-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone (PubChem CID 57133209) has the molecular formula C20H23ClN6O2 and a molecular weight of 414.90 g/mol. Its IUPAC name is [7-chloro-3-(5-propan-2-yl-2H-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[7-chloro-3-(5-propan-2-yl-2H-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone
PubChem CID57133209
Molecular FormulaC20H23ClN6O2
Molecular Weight414.90 g/mol
Exact Mass414.16
IUPAC Name[7-chloro-3-(5-propan-2-yl-2H-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone
SMILESCC(C)C1=CN(c2ncn3c2CN(C(=O)N2CCCC2)c2cc(Cl)ccc2-3)NO1
InChIInChI=1S/C20H23ClN6O2/c1-13(2)18-11-27(23-29-18)19-17-10-25(20(28)24-7-3-4-8-24)16-9-14(21)5-6-15(16)26(17)12-22-19/h5-6,9,11-13,23H,3-4,7-8,10H2,1-2H3
InChIKeyUUQUDTPDNWRFTD-UHFFFAOYSA-N
XLogP3.82
TPSA65.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.90
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [7-chloro-3-(5-propan-2-yl-2H-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [7-chloro-3-(5-propan-2-yl-2H-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone (CID 57133209) is [7-chloro-3-(5-propan-2-yl-2H-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [7-chloro-3-(5-propan-2-yl-2H-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [7-chloro-3-(5-propan-2-yl-2H-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone is CC(C)C1=CN(c2ncn3c2CN(C(=O)N2CCCC2)c2cc(Cl)ccc2-3)NO1.
What is the InChIKey of [7-chloro-3-(5-propan-2-yl-2H-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is UUQUDTPDNWRFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN6O2/c1-13(2)18-11-27(23-29-18)19-17-10-25(20(28)24-7-3-4-8-24)16-9-14(21)5-6-15(16)26(17)12-22-19/h5-6,9,11-13,23H,3-4,7-8,10H2,1-2H3.
What are the key properties of [7-chloro-3-(5-propan-2-yl-2H-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone?
[7-chloro-3-(5-propan-2-yl-2H-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 414.90 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [7-chloro-3-(5-propan-2-yl-2H-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 57133209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).