2-amino-N-cyclopentyl-1-[(E)-(2-methoxyphenyl)methylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide

C24H24N6O2 — CID 6888791

IUPAC2-amino-N-cyclopentyl-1-[(E)-(2-methoxyphenyl)methylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide
SMILESCOc1ccccc1/C=N/n1c(N)c(C(=O)NC2CCCC2)c2nc3ccccc3nc21
InChIInChI=1S/C24H24N6O2/c1-32-19-13-7-2-8-15(19)14-26-30-22(25)20(24(31)27-16-9-3-4-10-16)21-23(30)29-18-12-6-5-11-17(18)28-21/h2,5-8,11-14,16H,3-4,9-10,25H2,1H3,(H,27,31)/b26-14+
InChIKeyAWDKFURVFHCCOF-VULFUBBASA-N
MW428.50 g/mol
LogP3.73
Rot. Bonds5

About 2-amino-N-cyclopentyl-1-[(E)-(2-methoxyphenyl)methylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide

2-amino-N-cyclopentyl-1-[(E)-(2-methoxyphenyl)methylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide (PubChem CID 6888791) has the molecular formula C24H24N6O2 and a molecular weight of 428.50 g/mol. Its IUPAC name is 2-amino-N-cyclopentyl-1-[(E)-(2-methoxyphenyl)methylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-cyclopentyl-1-[(E)-(2-methoxyphenyl)methylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide
PubChem CID6888791
Molecular FormulaC24H24N6O2
Molecular Weight428.50 g/mol
Exact Mass428.20
IUPAC Name2-amino-N-cyclopentyl-1-[(E)-(2-methoxyphenyl)methylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide
SMILESCOc1ccccc1/C=N/n1c(N)c(C(=O)NC2CCCC2)c2nc3ccccc3nc21
InChIInChI=1S/C24H24N6O2/c1-32-19-13-7-2-8-15(19)14-26-30-22(25)20(24(31)27-16-9-3-4-10-16)21-23(30)29-18-12-6-5-11-17(18)28-21/h2,5-8,11-14,16H,3-4,9-10,25H2,1H3,(H,27,31)/b26-14+
InChIKeyAWDKFURVFHCCOF-VULFUBBASA-N
XLogP3.73
TPSA107.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-cyclopentyl-1-[(E)-(2-methoxyphenyl)methylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide?
The IUPAC name of 2-amino-N-cyclopentyl-1-[(E)-(2-methoxyphenyl)methylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide (CID 6888791) is 2-amino-N-cyclopentyl-1-[(E)-(2-methoxyphenyl)methylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide.
What is the SMILES notation for 2-amino-N-cyclopentyl-1-[(E)-(2-methoxyphenyl)methylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide?
The canonical SMILES for 2-amino-N-cyclopentyl-1-[(E)-(2-methoxyphenyl)methylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide is COc1ccccc1/C=N/n1c(N)c(C(=O)NC2CCCC2)c2nc3ccccc3nc21.
What is the InChIKey of 2-amino-N-cyclopentyl-1-[(E)-(2-methoxyphenyl)methylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide?
The InChIKey is AWDKFURVFHCCOF-VULFUBBASA-N. The full InChI is InChI=1S/C24H24N6O2/c1-32-19-13-7-2-8-15(19)14-26-30-22(25)20(24(31)27-16-9-3-4-10-16)21-23(30)29-18-12-6-5-11-17(18)28-21/h2,5-8,11-14,16H,3-4,9-10,25H2,1H3,(H,27,31)/b26-14+.
What are the key properties of 2-amino-N-cyclopentyl-1-[(E)-(2-methoxyphenyl)methylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide?
2-amino-N-cyclopentyl-1-[(E)-(2-methoxyphenyl)methylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide has a molecular weight of 428.50 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-cyclopentyl-1-[(E)-(2-methoxyphenyl)methylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide is sourced from PubChem (CID 6888791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).