6-chloro-5-[2-(4-hydroxypiperidin-1-yl)ethyl]-3-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]imidazo[1,5-a]quinoxalin-4-one

C23H25ClN6O4 — CID 67889233

IUPAC6-chloro-5-[2-(4-hydroxypiperidin-1-yl)ethyl]-3-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]imidazo[1,5-a]quinoxalin-4-one
SMILESO=c1c2c(-c3noc(C4CCCO4)n3)ncn2c2cccc(Cl)c2n1CCN1CCC(O)CC1
InChIInChI=1S/C23H25ClN6O4/c24-15-3-1-4-16-19(15)29(11-10-28-8-6-14(31)7-9-28)23(32)20-18(25-13-30(16)20)21-26-22(34-27-21)17-5-2-12-33-17/h1,3-4,13-14,17,31H,2,5-12H2
InChIKeyLALFYVIANSQUQE-UHFFFAOYSA-N
MW484.94 g/mol
LogP2.66
Rot. Bonds5

About 6-chloro-5-[2-(4-hydroxypiperidin-1-yl)ethyl]-3-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]imidazo[1,5-a]quinoxalin-4-one

6-chloro-5-[2-(4-hydroxypiperidin-1-yl)ethyl]-3-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]imidazo[1,5-a]quinoxalin-4-one (PubChem CID 67889233) has the molecular formula C23H25ClN6O4 and a molecular weight of 484.94 g/mol. Its IUPAC name is 6-chloro-5-[2-(4-hydroxypiperidin-1-yl)ethyl]-3-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]imidazo[1,5-a]quinoxalin-4-one.

Molecular Properties

Compound Name6-chloro-5-[2-(4-hydroxypiperidin-1-yl)ethyl]-3-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]imidazo[1,5-a]quinoxalin-4-one
PubChem CID67889233
Molecular FormulaC23H25ClN6O4
Molecular Weight484.94 g/mol
Exact Mass484.16
IUPAC Name6-chloro-5-[2-(4-hydroxypiperidin-1-yl)ethyl]-3-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]imidazo[1,5-a]quinoxalin-4-one
SMILESO=c1c2c(-c3noc(C4CCCO4)n3)ncn2c2cccc(Cl)c2n1CCN1CCC(O)CC1
InChIInChI=1S/C23H25ClN6O4/c24-15-3-1-4-16-19(15)29(11-10-28-8-6-14(31)7-9-28)23(32)20-18(25-13-30(16)20)21-26-22(34-27-21)17-5-2-12-33-17/h1,3-4,13-14,17,31H,2,5-12H2
InChIKeyLALFYVIANSQUQE-UHFFFAOYSA-N
XLogP2.66
TPSA110.92 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.94
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 6-chloro-5-[2-(4-hydroxypiperidin-1-yl)ethyl]-3-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]imidazo[1,5-a]quinoxalin-4-one with MolForge

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Related Compounds

7-chloro-5-[2-(4-hydroxypiperidin-1-yl)ethyl]-3-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]imidazo[1,5-a]quinoxalin-4-one
CID 67889666
7-fluoro-5-[2-(4-hydroxypiperidin-1-yl)ethyl]-4-oxo-3-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]imidazo[1,5-a]quinoxaline-6-carbonitrile
CID 67889767
6-chloro-3-[5-(2-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]-5-(2-morpholin-4-ylethyl)imidazo[1,5-a]quinoxalin-4-one
CID 56617043
6-fluoro-5-[2-(4-hydroxypiperidin-1-yl)ethyl]-3-[5-(1-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]imidazo[1,5-a]quinoxalin-4-one
CID 67888999
3-[5-(1-hydroxycyclopropyl)-1,2,4-oxadiazol-3-yl]-5-[2-(4-hydroxypiperidin-1-yl)ethyl]imidazo[1,5-a]quinoxalin-4-one
CID 67889406
6-fluoro-3-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one
CID 67886168
5-butan-2-yl-6-fluoro-3-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]imidazo[1,5-a]quinoxalin-4-one
CID 57129804
3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-5-[2-(3-hydroxypiperidin-1-yl)ethyl]imidazo[1,5-a]quinoxalin-4-one
CID 67889714
7-chloro-5-[2-(3-hydroxypiperidin-1-yl)ethyl]-4-oxo-3-[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]imidazo[1,5-a]quinoxaline-6-carbonitrile
CID 67889542
6-chloro-3-[5-(1-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]-5-(oxolan-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one
CID 67887304
7-chloro-5-(2-morpholin-4-ylethyl)-4-oxo-3-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]imidazo[1,5-a]quinoxaline-6-carbonitrile
CID 67889132
6-chloro-3-[5-(2-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]-5-(pyridin-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one
CID 67886927

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-[2-(4-hydroxypiperidin-1-yl)ethyl]-3-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]imidazo[1,5-a]quinoxalin-4-one?
The IUPAC name of 6-chloro-5-[2-(4-hydroxypiperidin-1-yl)ethyl]-3-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]imidazo[1,5-a]quinoxalin-4-one (CID 67889233) is 6-chloro-5-[2-(4-hydroxypiperidin-1-yl)ethyl]-3-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]imidazo[1,5-a]quinoxalin-4-one.
What is the SMILES notation for 6-chloro-5-[2-(4-hydroxypiperidin-1-yl)ethyl]-3-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]imidazo[1,5-a]quinoxalin-4-one?
The canonical SMILES for 6-chloro-5-[2-(4-hydroxypiperidin-1-yl)ethyl]-3-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]imidazo[1,5-a]quinoxalin-4-one is O=c1c2c(-c3noc(C4CCCO4)n3)ncn2c2cccc(Cl)c2n1CCN1CCC(O)CC1.
What is the InChIKey of 6-chloro-5-[2-(4-hydroxypiperidin-1-yl)ethyl]-3-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]imidazo[1,5-a]quinoxalin-4-one?
The InChIKey is LALFYVIANSQUQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN6O4/c24-15-3-1-4-16-19(15)29(11-10-28-8-6-14(31)7-9-28)23(32)20-18(25-13-30(16)20)21-26-22(34-27-21)17-5-2-12-33-17/h1,3-4,13-14,17,31H,2,5-12H2.
What are the key properties of 6-chloro-5-[2-(4-hydroxypiperidin-1-yl)ethyl]-3-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]imidazo[1,5-a]quinoxalin-4-one?
6-chloro-5-[2-(4-hydroxypiperidin-1-yl)ethyl]-3-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]imidazo[1,5-a]quinoxalin-4-one has a molecular weight of 484.94 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-[2-(4-hydroxypiperidin-1-yl)ethyl]-3-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]imidazo[1,5-a]quinoxalin-4-one is sourced from PubChem (CID 67889233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).