8-chloro-N-(2-hydroxyethyl)-N-methyl-4-oxo-1-phenyl-5H-imidazo[1,5-a]quinoxaline-7-carboxamide

C20H17ClN4O3 — CID 68702977

IUPAC8-chloro-N-(2-hydroxyethyl)-N-methyl-4-oxo-1-phenyl-5H-imidazo[1,5-a]quinoxaline-7-carboxamide
SMILESCN(CCO)C(=O)c1cc2[nH]c(=O)c3cnc(-c4ccccc4)n3c2cc1Cl
InChIInChI=1S/C20H17ClN4O3/c1-24(7-8-26)20(28)13-9-15-16(10-14(13)21)25-17(19(27)23-15)11-22-18(25)12-5-3-2-4-6-12/h2-6,9-11,26H,7-8H2,1H3,(H,23,27)
InChIKeyDZPICEFIEUUOGF-UHFFFAOYSA-N
MW396.83 g/mol
LogP2.56
Rot. Bonds4

About 8-chloro-N-(2-hydroxyethyl)-N-methyl-4-oxo-1-phenyl-5H-imidazo[1,5-a]quinoxaline-7-carboxamide

8-chloro-N-(2-hydroxyethyl)-N-methyl-4-oxo-1-phenyl-5H-imidazo[1,5-a]quinoxaline-7-carboxamide (PubChem CID 68702977) has the molecular formula C20H17ClN4O3 and a molecular weight of 396.83 g/mol. Its IUPAC name is 8-chloro-N-(2-hydroxyethyl)-N-methyl-4-oxo-1-phenyl-5H-imidazo[1,5-a]quinoxaline-7-carboxamide.

Molecular Properties

Compound Name8-chloro-N-(2-hydroxyethyl)-N-methyl-4-oxo-1-phenyl-5H-imidazo[1,5-a]quinoxaline-7-carboxamide
PubChem CID68702977
Molecular FormulaC20H17ClN4O3
Molecular Weight396.83 g/mol
Exact Mass396.10
IUPAC Name8-chloro-N-(2-hydroxyethyl)-N-methyl-4-oxo-1-phenyl-5H-imidazo[1,5-a]quinoxaline-7-carboxamide
SMILESCN(CCO)C(=O)c1cc2[nH]c(=O)c3cnc(-c4ccccc4)n3c2cc1Cl
InChIInChI=1S/C20H17ClN4O3/c1-24(7-8-26)20(28)13-9-15-16(10-14(13)21)25-17(19(27)23-15)11-22-18(25)12-5-3-2-4-6-12/h2-6,9-11,26H,7-8H2,1H3,(H,23,27)
InChIKeyDZPICEFIEUUOGF-UHFFFAOYSA-N
XLogP2.56
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.83
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 8-chloro-N-(2-hydroxyethyl)-N-methyl-4-oxo-1-phenyl-5H-imidazo[1,5-a]quinoxaline-7-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-chloro-N-(2-hydroxyethyl)-N-methyl-4-oxo-1-phenyl-5H-imidazo[1,5-a]quinoxaline-7-carboxamide?
The IUPAC name of 8-chloro-N-(2-hydroxyethyl)-N-methyl-4-oxo-1-phenyl-5H-imidazo[1,5-a]quinoxaline-7-carboxamide (CID 68702977) is 8-chloro-N-(2-hydroxyethyl)-N-methyl-4-oxo-1-phenyl-5H-imidazo[1,5-a]quinoxaline-7-carboxamide.
What is the SMILES notation for 8-chloro-N-(2-hydroxyethyl)-N-methyl-4-oxo-1-phenyl-5H-imidazo[1,5-a]quinoxaline-7-carboxamide?
The canonical SMILES for 8-chloro-N-(2-hydroxyethyl)-N-methyl-4-oxo-1-phenyl-5H-imidazo[1,5-a]quinoxaline-7-carboxamide is CN(CCO)C(=O)c1cc2[nH]c(=O)c3cnc(-c4ccccc4)n3c2cc1Cl.
What is the InChIKey of 8-chloro-N-(2-hydroxyethyl)-N-methyl-4-oxo-1-phenyl-5H-imidazo[1,5-a]quinoxaline-7-carboxamide?
The InChIKey is DZPICEFIEUUOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4O3/c1-24(7-8-26)20(28)13-9-15-16(10-14(13)21)25-17(19(27)23-15)11-22-18(25)12-5-3-2-4-6-12/h2-6,9-11,26H,7-8H2,1H3,(H,23,27).
What are the key properties of 8-chloro-N-(2-hydroxyethyl)-N-methyl-4-oxo-1-phenyl-5H-imidazo[1,5-a]quinoxaline-7-carboxamide?
8-chloro-N-(2-hydroxyethyl)-N-methyl-4-oxo-1-phenyl-5H-imidazo[1,5-a]quinoxaline-7-carboxamide has a molecular weight of 396.83 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-N-(2-hydroxyethyl)-N-methyl-4-oxo-1-phenyl-5H-imidazo[1,5-a]quinoxaline-7-carboxamide is sourced from PubChem (CID 68702977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).