3-(2-chlorophenyl)-5-methyl-N-(4-oxo-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-2-yl)-1,2-oxazole-4-carboxamide

C22H19ClN4O3 — CID 91813669

IUPAC3-(2-chlorophenyl)-5-methyl-N-(4-oxo-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-2-yl)-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)NC1CC2C(=O)Nc3ccccc3N2C1
InChIInChI=1S/C22H19ClN4O3/c1-12-19(20(26-30-12)14-6-2-3-7-15(14)23)22(29)24-13-10-18-21(28)25-16-8-4-5-9-17(16)27(18)11-13/h2-9,13,18H,10-11H2,1H3,(H,24,29)(H,25,28)
InChIKeyNZKIHYDXSSUKPK-UHFFFAOYSA-N
MW422.87 g/mol
LogP3.63
Rot. Bonds3

About 3-(2-chlorophenyl)-5-methyl-N-(4-oxo-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-2-yl)-1,2-oxazole-4-carboxamide

3-(2-chlorophenyl)-5-methyl-N-(4-oxo-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-2-yl)-1,2-oxazole-4-carboxamide (PubChem CID 91813669) has the molecular formula C22H19ClN4O3 and a molecular weight of 422.87 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-5-methyl-N-(4-oxo-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-2-yl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-5-methyl-N-(4-oxo-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-2-yl)-1,2-oxazole-4-carboxamide
PubChem CID91813669
Molecular FormulaC22H19ClN4O3
Molecular Weight422.87 g/mol
Exact Mass422.11
IUPAC Name3-(2-chlorophenyl)-5-methyl-N-(4-oxo-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-2-yl)-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)NC1CC2C(=O)Nc3ccccc3N2C1
InChIInChI=1S/C22H19ClN4O3/c1-12-19(20(26-30-12)14-6-2-3-7-15(14)23)22(29)24-13-10-18-21(28)25-16-8-4-5-9-17(16)27(18)11-13/h2-9,13,18H,10-11H2,1H3,(H,24,29)(H,25,28)
InChIKeyNZKIHYDXSSUKPK-UHFFFAOYSA-N
XLogP3.63
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.87
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-(2-chlorophenyl)-5-methyl-N-(4-oxo-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-2-yl)-1,2-oxazole-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-5-methyl-N-(4-oxo-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-2-yl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-5-methyl-N-(4-oxo-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-2-yl)-1,2-oxazole-4-carboxamide (CID 91813669) is 3-(2-chlorophenyl)-5-methyl-N-(4-oxo-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-2-yl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-5-methyl-N-(4-oxo-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-2-yl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-5-methyl-N-(4-oxo-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-2-yl)-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccccc2Cl)c1C(=O)NC1CC2C(=O)Nc3ccccc3N2C1.
What is the InChIKey of 3-(2-chlorophenyl)-5-methyl-N-(4-oxo-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-2-yl)-1,2-oxazole-4-carboxamide?
The InChIKey is NZKIHYDXSSUKPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4O3/c1-12-19(20(26-30-12)14-6-2-3-7-15(14)23)22(29)24-13-10-18-21(28)25-16-8-4-5-9-17(16)27(18)11-13/h2-9,13,18H,10-11H2,1H3,(H,24,29)(H,25,28).
What are the key properties of 3-(2-chlorophenyl)-5-methyl-N-(4-oxo-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-2-yl)-1,2-oxazole-4-carboxamide?
3-(2-chlorophenyl)-5-methyl-N-(4-oxo-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-2-yl)-1,2-oxazole-4-carboxamide has a molecular weight of 422.87 g/mol, XLogP of 3.63, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-5-methyl-N-(4-oxo-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-2-yl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 91813669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).