(1R,2aR)-2a-methyl-1-(4-methylphenyl)-2,4-dihydro-1H-azeto[1,2-a]quinoxalin-3-one

C18H18N2O — CID 162415169

IUPAC(1R,2aR)-2a-methyl-1-(4-methylphenyl)-2,4-dihydro-1H-azeto[1,2-a]quinoxalin-3-one
SMILESCc1ccc([C@H]2C[C@]3(C)C(=O)Nc4ccccc4N23)cc1
InChIInChI=1S/C18H18N2O/c1-12-7-9-13(10-8-12)16-11-18(2)17(21)19-14-5-3-4-6-15(14)20(16)18/h3-10,16H,11H2,1-2H3,(H,19,21)/t16-,18-/m1/s1
InChIKeyQCPZLJYMZSLTIV-SJLPKXTDSA-N
MW278.36 g/mol
LogP3.66
Rot. Bonds1

About (1R,2aR)-2a-methyl-1-(4-methylphenyl)-2,4-dihydro-1H-azeto[1,2-a]quinoxalin-3-one

(1R,2aR)-2a-methyl-1-(4-methylphenyl)-2,4-dihydro-1H-azeto[1,2-a]quinoxalin-3-one (PubChem CID 162415169) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is (1R,2aR)-2a-methyl-1-(4-methylphenyl)-2,4-dihydro-1H-azeto[1,2-a]quinoxalin-3-one.

Molecular Properties

Compound Name(1R,2aR)-2a-methyl-1-(4-methylphenyl)-2,4-dihydro-1H-azeto[1,2-a]quinoxalin-3-one
PubChem CID162415169
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name(1R,2aR)-2a-methyl-1-(4-methylphenyl)-2,4-dihydro-1H-azeto[1,2-a]quinoxalin-3-one
SMILESCc1ccc([C@H]2C[C@]3(C)C(=O)Nc4ccccc4N23)cc1
InChIInChI=1S/C18H18N2O/c1-12-7-9-13(10-8-12)16-11-18(2)17(21)19-14-5-3-4-6-15(14)20(16)18/h3-10,16H,11H2,1-2H3,(H,19,21)/t16-,18-/m1/s1
InChIKeyQCPZLJYMZSLTIV-SJLPKXTDSA-N
XLogP3.66
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,2aR)-2a-methyl-1-(4-methylphenyl)-2,4-dihydro-1H-azeto[1,2-a]quinoxalin-3-one?
The IUPAC name of (1R,2aR)-2a-methyl-1-(4-methylphenyl)-2,4-dihydro-1H-azeto[1,2-a]quinoxalin-3-one (CID 162415169) is (1R,2aR)-2a-methyl-1-(4-methylphenyl)-2,4-dihydro-1H-azeto[1,2-a]quinoxalin-3-one.
What is the SMILES notation for (1R,2aR)-2a-methyl-1-(4-methylphenyl)-2,4-dihydro-1H-azeto[1,2-a]quinoxalin-3-one?
The canonical SMILES for (1R,2aR)-2a-methyl-1-(4-methylphenyl)-2,4-dihydro-1H-azeto[1,2-a]quinoxalin-3-one is Cc1ccc([C@H]2C[C@]3(C)C(=O)Nc4ccccc4N23)cc1.
What is the InChIKey of (1R,2aR)-2a-methyl-1-(4-methylphenyl)-2,4-dihydro-1H-azeto[1,2-a]quinoxalin-3-one?
The InChIKey is QCPZLJYMZSLTIV-SJLPKXTDSA-N. The full InChI is InChI=1S/C18H18N2O/c1-12-7-9-13(10-8-12)16-11-18(2)17(21)19-14-5-3-4-6-15(14)20(16)18/h3-10,16H,11H2,1-2H3,(H,19,21)/t16-,18-/m1/s1.
What are the key properties of (1R,2aR)-2a-methyl-1-(4-methylphenyl)-2,4-dihydro-1H-azeto[1,2-a]quinoxalin-3-one?
(1R,2aR)-2a-methyl-1-(4-methylphenyl)-2,4-dihydro-1H-azeto[1,2-a]quinoxalin-3-one has a molecular weight of 278.36 g/mol, XLogP of 3.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2aR)-2a-methyl-1-(4-methylphenyl)-2,4-dihydro-1H-azeto[1,2-a]quinoxalin-3-one is sourced from PubChem (CID 162415169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).