2-amino-N-butan-2-yl-1-[(2-methylphenyl)methylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide

C23H24N6O — CID 4210112

IUPAC2-amino-N-butan-2-yl-1-[(2-methylphenyl)methylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide
SMILESCCC(C)NC(=O)c1c(N)n(N=Cc2ccccc2C)c2nc3ccccc3nc12
InChIInChI=1S/C23H24N6O/c1-4-15(3)26-23(30)19-20-22(28-18-12-8-7-11-17(18)27-20)29(21(19)24)25-13-16-10-6-5-9-14(16)2/h5-13,15H,4,24H2,1-3H3,(H,26,30)
InChIKeyPEVSMDSWMFXIHD-UHFFFAOYSA-N
MW400.49 g/mol
LogP3.89
Rot. Bonds5

About 2-amino-N-butan-2-yl-1-[(2-methylphenyl)methylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide

2-amino-N-butan-2-yl-1-[(2-methylphenyl)methylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide (PubChem CID 4210112) has the molecular formula C23H24N6O and a molecular weight of 400.49 g/mol. Its IUPAC name is 2-amino-N-butan-2-yl-1-[(2-methylphenyl)methylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-butan-2-yl-1-[(2-methylphenyl)methylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide
PubChem CID4210112
Molecular FormulaC23H24N6O
Molecular Weight400.49 g/mol
Exact Mass400.20
IUPAC Name2-amino-N-butan-2-yl-1-[(2-methylphenyl)methylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide
SMILESCCC(C)NC(=O)c1c(N)n(N=Cc2ccccc2C)c2nc3ccccc3nc12
InChIInChI=1S/C23H24N6O/c1-4-15(3)26-23(30)19-20-22(28-18-12-8-7-11-17(18)27-20)29(21(19)24)25-13-16-10-6-5-9-14(16)2/h5-13,15H,4,24H2,1-3H3,(H,26,30)
InChIKeyPEVSMDSWMFXIHD-UHFFFAOYSA-N
XLogP3.89
TPSA98.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.49
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-butan-2-yl-1-[[4-(dimethylamino)phenyl]methylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 5102146
2-amino-N-butan-2-yl-1-[(Z)-(3-hydroxyphenyl)methylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 6294704
2-amino-N-(2,5-dimethylphenyl)-1-[(Z)-(2-methylphenyl)methylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 6036166
2-amino-N-[2-(4-methoxyphenyl)ethyl]-1-[(E)-(2-methylphenyl)methylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 6880641
2-amino-N-(4-phenylbutan-2-yl)-1-(pyridin-3-ylmethylideneamino)pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 3757096
2-amino-N-(3,5-dimethylphenyl)-1-[(E)-(2-hydroxyphenyl)methylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 135649133
2-amino-N-[(2R)-butan-2-yl]-1-(4-iodophenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 40589200
2-amino-1-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(3-methylbutyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 135649154
2-amino-1-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(3-methylbutyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 136846318
2-amino-N-(3-methylbutyl)-1-[(4-methylphenyl)methylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 4317659
2-amino-N-butan-2-yl-1-cyclohexylpyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 3742039
2-amino-1-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-N-(2-methoxyethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 6881018

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-butan-2-yl-1-[(2-methylphenyl)methylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide?
The IUPAC name of 2-amino-N-butan-2-yl-1-[(2-methylphenyl)methylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide (CID 4210112) is 2-amino-N-butan-2-yl-1-[(2-methylphenyl)methylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide.
What is the SMILES notation for 2-amino-N-butan-2-yl-1-[(2-methylphenyl)methylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide?
The canonical SMILES for 2-amino-N-butan-2-yl-1-[(2-methylphenyl)methylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide is CCC(C)NC(=O)c1c(N)n(N=Cc2ccccc2C)c2nc3ccccc3nc12.
What is the InChIKey of 2-amino-N-butan-2-yl-1-[(2-methylphenyl)methylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide?
The InChIKey is PEVSMDSWMFXIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O/c1-4-15(3)26-23(30)19-20-22(28-18-12-8-7-11-17(18)27-20)29(21(19)24)25-13-16-10-6-5-9-14(16)2/h5-13,15H,4,24H2,1-3H3,(H,26,30).
What are the key properties of 2-amino-N-butan-2-yl-1-[(2-methylphenyl)methylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide?
2-amino-N-butan-2-yl-1-[(2-methylphenyl)methylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide has a molecular weight of 400.49 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-butan-2-yl-1-[(2-methylphenyl)methylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide is sourced from PubChem (CID 4210112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).