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

C23H25ClN6O4 — CID 67889666

IUPAC7-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)ncn2c2ccc(Cl)cc2n1CCN1CCC(O)CC1
InChIInChI=1S/C23H25ClN6O4/c24-14-3-4-16-17(12-14)29(10-9-28-7-5-15(31)6-8-28)23(32)20-19(25-13-30(16)20)21-26-22(34-27-21)18-2-1-11-33-18/h3-4,12-13,15,18,31H,1-2,5-11H2
InChIKeyCYZVCZFCOACUEW-UHFFFAOYSA-N
MW484.94 g/mol
LogP2.66
Rot. Bonds5

About 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

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 (PubChem CID 67889666) has the molecular formula C23H25ClN6O4 and a molecular weight of 484.94 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-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 CID67889666
Molecular FormulaC23H25ClN6O4
Molecular Weight484.94 g/mol
Exact Mass484.16
IUPAC Name7-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)ncn2c2ccc(Cl)cc2n1CCN1CCC(O)CC1
InChIInChI=1S/C23H25ClN6O4/c24-14-3-4-16-17(12-14)29(10-9-28-7-5-15(31)6-8-28)23(32)20-19(25-13-30(16)20)21-26-22(34-27-21)18-2-1-11-33-18/h3-4,12-13,15,18,31H,1-2,5-11H2
InChIKeyCYZVCZFCOACUEW-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 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=c1c2c(-c3noc(C4CCCO4)n3)ncn2c2ccc(Cl)cc2n1CCN1CCC(O)CC1.
What is the InChIKey of 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?
The InChIKey is CYZVCZFCOACUEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN6O4/c24-14-3-4-16-17(12-14)29(10-9-28-7-5-15(31)6-8-28)23(32)20-19(25-13-30(16)20)21-26-22(34-27-21)18-2-1-11-33-18/h3-4,12-13,15,18,31H,1-2,5-11H2.
What are the key properties of 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?
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 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 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 is sourced from PubChem (CID 67889666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).