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

C22H16ClN5O2 — CID 10070610

IUPAC(2-chlorophenyl)-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]methanone
SMILESO=C(c1ccccc1Cl)N1Cc2c(-c3noc(C4CC4)n3)ncn2-c2ccccc21
InChIInChI=1S/C22H16ClN5O2/c23-15-6-2-1-5-14(15)22(29)27-11-18-19(20-25-21(30-26-20)13-9-10-13)24-12-28(18)17-8-4-3-7-16(17)27/h1-8,12-13H,9-11H2
InChIKeySFCBBMSYOPFMBK-UHFFFAOYSA-N
MW417.86 g/mol
LogP4.61
Rot. Bonds3

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

(2-chlorophenyl)-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]methanone (PubChem CID 10070610) has the molecular formula C22H16ClN5O2 and a molecular weight of 417.86 g/mol. Its IUPAC name is (2-chlorophenyl)-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]methanone.

Molecular Properties

Compound Name(2-chlorophenyl)-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]methanone
PubChem CID10070610
Molecular FormulaC22H16ClN5O2
Molecular Weight417.86 g/mol
Exact Mass417.10
IUPAC Name(2-chlorophenyl)-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]methanone
SMILESO=C(c1ccccc1Cl)N1Cc2c(-c3noc(C4CC4)n3)ncn2-c2ccccc21
InChIInChI=1S/C22H16ClN5O2/c23-15-6-2-1-5-14(15)22(29)27-11-18-19(20-25-21(30-26-20)13-9-10-13)24-12-28(18)17-8-4-3-7-16(17)27/h1-8,12-13H,9-11H2
InChIKeySFCBBMSYOPFMBK-UHFFFAOYSA-N
XLogP4.61
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.86
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]methanone?
The IUPAC name of (2-chlorophenyl)-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]methanone (CID 10070610) is (2-chlorophenyl)-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]methanone.
What is the SMILES notation for (2-chlorophenyl)-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]methanone?
The canonical SMILES for (2-chlorophenyl)-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]methanone is O=C(c1ccccc1Cl)N1Cc2c(-c3noc(C4CC4)n3)ncn2-c2ccccc21.
What is the InChIKey of (2-chlorophenyl)-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]methanone?
The InChIKey is SFCBBMSYOPFMBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClN5O2/c23-15-6-2-1-5-14(15)22(29)27-11-18-19(20-25-21(30-26-20)13-9-10-13)24-12-28(18)17-8-4-3-7-16(17)27/h1-8,12-13H,9-11H2.
What are the key properties of (2-chlorophenyl)-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]methanone?
(2-chlorophenyl)-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]methanone has a molecular weight of 417.86 g/mol, XLogP of 4.61, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]methanone is sourced from PubChem (CID 10070610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).