N-(2,3-dimethylphenyl)-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-5-carboxamide

C20H23N3O — CID 20940324

IUPACN-(2,3-dimethylphenyl)-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-5-carboxamide
SMILESCc1cccc(NC(=O)N2CC3CCCN3c3ccccc32)c1C
InChIInChI=1S/C20H23N3O/c1-14-7-5-9-17(15(14)2)21-20(24)23-13-16-8-6-12-22(16)18-10-3-4-11-19(18)23/h3-5,7,9-11,16H,6,8,12-13H2,1-2H3,(H,21,24)
InChIKeyJDGMKXBNTVMBDR-UHFFFAOYSA-N
MW321.42 g/mol
LogP4.32
Rot. Bonds1

About N-(2,3-dimethylphenyl)-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-5-carboxamide

N-(2,3-dimethylphenyl)-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-5-carboxamide (PubChem CID 20940324) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-5-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-5-carboxamide
PubChem CID20940324
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC NameN-(2,3-dimethylphenyl)-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-5-carboxamide
SMILESCc1cccc(NC(=O)N2CC3CCCN3c3ccccc32)c1C
InChIInChI=1S/C20H23N3O/c1-14-7-5-9-17(15(14)2)21-20(24)23-13-16-8-6-12-22(16)18-10-3-4-11-19(18)23/h3-5,7,9-11,16H,6,8,12-13H2,1-2H3,(H,21,24)
InChIKeyJDGMKXBNTVMBDR-UHFFFAOYSA-N
XLogP4.32
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-5-carboxamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-5-carboxamide (CID 20940324) is N-(2,3-dimethylphenyl)-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-5-carboxamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-5-carboxamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-5-carboxamide is Cc1cccc(NC(=O)N2CC3CCCN3c3ccccc32)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-5-carboxamide?
The InChIKey is JDGMKXBNTVMBDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c1-14-7-5-9-17(15(14)2)21-20(24)23-13-16-8-6-12-22(16)18-10-3-4-11-19(18)23/h3-5,7,9-11,16H,6,8,12-13H2,1-2H3,(H,21,24).
What are the key properties of N-(2,3-dimethylphenyl)-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-5-carboxamide?
N-(2,3-dimethylphenyl)-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-5-carboxamide has a molecular weight of 321.42 g/mol, XLogP of 4.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-5-carboxamide is sourced from PubChem (CID 20940324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).