5-[(2-chlorophenyl)methyl]-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)imidazo[1,5-a]quinoxalin-4-one

C22H16ClN5O2 — CID 19980273

IUPAC5-[(2-chlorophenyl)methyl]-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)imidazo[1,5-a]quinoxalin-4-one
SMILESO=c1c2c(-c3nc(C4CC4)no3)ncn2c2ccccc2n1Cc1ccccc1Cl
InChIInChI=1S/C22H16ClN5O2/c23-15-6-2-1-5-14(15)11-27-16-7-3-4-8-17(16)28-12-24-18(19(28)22(27)29)21-25-20(26-30-21)13-9-10-13/h1-8,12-13H,9-11H2
InChIKeyXOAVJCCBDYZWTF-UHFFFAOYSA-N
MW417.86 g/mol
LogP4.28
Rot. Bonds4

About 5-[(2-chlorophenyl)methyl]-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)imidazo[1,5-a]quinoxalin-4-one

5-[(2-chlorophenyl)methyl]-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)imidazo[1,5-a]quinoxalin-4-one (PubChem CID 19980273) has the molecular formula C22H16ClN5O2 and a molecular weight of 417.86 g/mol. Its IUPAC name is 5-[(2-chlorophenyl)methyl]-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)imidazo[1,5-a]quinoxalin-4-one.

Molecular Properties

Compound Name5-[(2-chlorophenyl)methyl]-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)imidazo[1,5-a]quinoxalin-4-one
PubChem CID19980273
Molecular FormulaC22H16ClN5O2
Molecular Weight417.86 g/mol
Exact Mass417.10
IUPAC Name5-[(2-chlorophenyl)methyl]-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)imidazo[1,5-a]quinoxalin-4-one
SMILESO=c1c2c(-c3nc(C4CC4)no3)ncn2c2ccccc2n1Cc1ccccc1Cl
InChIInChI=1S/C22H16ClN5O2/c23-15-6-2-1-5-14(15)11-27-16-7-3-4-8-17(16)28-12-24-18(19(28)22(27)29)21-25-20(26-30-21)13-9-10-13/h1-8,12-13H,9-11H2
InChIKeyXOAVJCCBDYZWTF-UHFFFAOYSA-N
XLogP4.28
TPSA78.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.86
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-chlorophenyl)methyl]-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)imidazo[1,5-a]quinoxalin-4-one?
The IUPAC name of 5-[(2-chlorophenyl)methyl]-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)imidazo[1,5-a]quinoxalin-4-one (CID 19980273) is 5-[(2-chlorophenyl)methyl]-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)imidazo[1,5-a]quinoxalin-4-one.
What is the SMILES notation for 5-[(2-chlorophenyl)methyl]-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)imidazo[1,5-a]quinoxalin-4-one?
The canonical SMILES for 5-[(2-chlorophenyl)methyl]-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)imidazo[1,5-a]quinoxalin-4-one is O=c1c2c(-c3nc(C4CC4)no3)ncn2c2ccccc2n1Cc1ccccc1Cl.
What is the InChIKey of 5-[(2-chlorophenyl)methyl]-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)imidazo[1,5-a]quinoxalin-4-one?
The InChIKey is XOAVJCCBDYZWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClN5O2/c23-15-6-2-1-5-14(15)11-27-16-7-3-4-8-17(16)28-12-24-18(19(28)22(27)29)21-25-20(26-30-21)13-9-10-13/h1-8,12-13H,9-11H2.
What are the key properties of 5-[(2-chlorophenyl)methyl]-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)imidazo[1,5-a]quinoxalin-4-one?
5-[(2-chlorophenyl)methyl]-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)imidazo[1,5-a]quinoxalin-4-one has a molecular weight of 417.86 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chlorophenyl)methyl]-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)imidazo[1,5-a]quinoxalin-4-one is sourced from PubChem (CID 19980273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).