5-(2-methoxyethyl)-3-[5-(1-methylpyrrolidin-2-yl)triazol-1-yl]imidazo[1,5-a]quinoxalin-4-one

C20H23N7O2 — CID 67886474

IUPAC5-(2-methoxyethyl)-3-[5-(1-methylpyrrolidin-2-yl)triazol-1-yl]imidazo[1,5-a]quinoxalin-4-one
SMILESCOCCn1c(=O)c2c(-n3nncc3C3CCCN3C)ncn2c2ccccc21
InChIInChI=1S/C20H23N7O2/c1-24-9-5-8-14(24)17-12-22-23-27(17)19-18-20(28)25(10-11-29-2)15-6-3-4-7-16(15)26(18)13-21-19/h3-4,6-7,12-14H,5,8-11H2,1-2H3
InChIKeyLHSCWTFVNBALEK-UHFFFAOYSA-N
MW393.45 g/mol
LogP1.64
Rot. Bonds5

About 5-(2-methoxyethyl)-3-[5-(1-methylpyrrolidin-2-yl)triazol-1-yl]imidazo[1,5-a]quinoxalin-4-one

5-(2-methoxyethyl)-3-[5-(1-methylpyrrolidin-2-yl)triazol-1-yl]imidazo[1,5-a]quinoxalin-4-one (PubChem CID 67886474) has the molecular formula C20H23N7O2 and a molecular weight of 393.45 g/mol. Its IUPAC name is 5-(2-methoxyethyl)-3-[5-(1-methylpyrrolidin-2-yl)triazol-1-yl]imidazo[1,5-a]quinoxalin-4-one.

Molecular Properties

Compound Name5-(2-methoxyethyl)-3-[5-(1-methylpyrrolidin-2-yl)triazol-1-yl]imidazo[1,5-a]quinoxalin-4-one
PubChem CID67886474
Molecular FormulaC20H23N7O2
Molecular Weight393.45 g/mol
Exact Mass393.19
IUPAC Name5-(2-methoxyethyl)-3-[5-(1-methylpyrrolidin-2-yl)triazol-1-yl]imidazo[1,5-a]quinoxalin-4-one
SMILESCOCCn1c(=O)c2c(-n3nncc3C3CCCN3C)ncn2c2ccccc21
InChIInChI=1S/C20H23N7O2/c1-24-9-5-8-14(24)17-12-22-23-27(17)19-18-20(28)25(10-11-29-2)15-6-3-4-7-16(15)26(18)13-21-19/h3-4,6-7,12-14H,5,8-11H2,1-2H3
InChIKeyLHSCWTFVNBALEK-UHFFFAOYSA-N
XLogP1.64
TPSA82.48 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyethyl)-3-[5-(1-methylpyrrolidin-2-yl)triazol-1-yl]imidazo[1,5-a]quinoxalin-4-one?
The IUPAC name of 5-(2-methoxyethyl)-3-[5-(1-methylpyrrolidin-2-yl)triazol-1-yl]imidazo[1,5-a]quinoxalin-4-one (CID 67886474) is 5-(2-methoxyethyl)-3-[5-(1-methylpyrrolidin-2-yl)triazol-1-yl]imidazo[1,5-a]quinoxalin-4-one.
What is the SMILES notation for 5-(2-methoxyethyl)-3-[5-(1-methylpyrrolidin-2-yl)triazol-1-yl]imidazo[1,5-a]quinoxalin-4-one?
The canonical SMILES for 5-(2-methoxyethyl)-3-[5-(1-methylpyrrolidin-2-yl)triazol-1-yl]imidazo[1,5-a]quinoxalin-4-one is COCCn1c(=O)c2c(-n3nncc3C3CCCN3C)ncn2c2ccccc21.
What is the InChIKey of 5-(2-methoxyethyl)-3-[5-(1-methylpyrrolidin-2-yl)triazol-1-yl]imidazo[1,5-a]quinoxalin-4-one?
The InChIKey is LHSCWTFVNBALEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7O2/c1-24-9-5-8-14(24)17-12-22-23-27(17)19-18-20(28)25(10-11-29-2)15-6-3-4-7-16(15)26(18)13-21-19/h3-4,6-7,12-14H,5,8-11H2,1-2H3.
What are the key properties of 5-(2-methoxyethyl)-3-[5-(1-methylpyrrolidin-2-yl)triazol-1-yl]imidazo[1,5-a]quinoxalin-4-one?
5-(2-methoxyethyl)-3-[5-(1-methylpyrrolidin-2-yl)triazol-1-yl]imidazo[1,5-a]quinoxalin-4-one has a molecular weight of 393.45 g/mol, XLogP of 1.64, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyethyl)-3-[5-(1-methylpyrrolidin-2-yl)triazol-1-yl]imidazo[1,5-a]quinoxalin-4-one is sourced from PubChem (CID 67886474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).