2-amino-N-cyclohexyl-1-[(E)-(4-fluorophenyl)methylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide

C24H23FN6O — CID 6888871

IUPAC2-amino-N-cyclohexyl-1-[(E)-(4-fluorophenyl)methylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide
SMILESNc1c(C(=O)NC2CCCCC2)c2nc3ccccc3nc2n1/N=C/c1ccc(F)cc1
InChIInChI=1S/C24H23FN6O/c25-16-12-10-15(11-13-16)14-27-31-22(26)20(24(32)28-17-6-2-1-3-7-17)21-23(31)30-19-9-5-4-8-18(19)29-21/h4-5,8-14,17H,1-3,6-7,26H2,(H,28,32)/b27-14+
InChIKeyLZMBIQAMMRLVAY-MZJWZYIUSA-N
MW430.49 g/mol
LogP4.25
Rot. Bonds4

About 2-amino-N-cyclohexyl-1-[(E)-(4-fluorophenyl)methylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide

2-amino-N-cyclohexyl-1-[(E)-(4-fluorophenyl)methylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide (PubChem CID 6888871) has the molecular formula C24H23FN6O and a molecular weight of 430.49 g/mol. Its IUPAC name is 2-amino-N-cyclohexyl-1-[(E)-(4-fluorophenyl)methylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-cyclohexyl-1-[(E)-(4-fluorophenyl)methylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide
PubChem CID6888871
Molecular FormulaC24H23FN6O
Molecular Weight430.49 g/mol
Exact Mass430.19
IUPAC Name2-amino-N-cyclohexyl-1-[(E)-(4-fluorophenyl)methylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide
SMILESNc1c(C(=O)NC2CCCCC2)c2nc3ccccc3nc2n1/N=C/c1ccc(F)cc1
InChIInChI=1S/C24H23FN6O/c25-16-12-10-15(11-13-16)14-27-31-22(26)20(24(32)28-17-6-2-1-3-7-17)21-23(31)30-19-9-5-4-8-18(19)29-21/h4-5,8-14,17H,1-3,6-7,26H2,(H,28,32)/b27-14+
InChIKeyLZMBIQAMMRLVAY-MZJWZYIUSA-N
XLogP4.25
TPSA98.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.49
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-cyclohexyl-1-[(E)-(4-fluorophenyl)methylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide?
The IUPAC name of 2-amino-N-cyclohexyl-1-[(E)-(4-fluorophenyl)methylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide (CID 6888871) is 2-amino-N-cyclohexyl-1-[(E)-(4-fluorophenyl)methylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide.
What is the SMILES notation for 2-amino-N-cyclohexyl-1-[(E)-(4-fluorophenyl)methylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide?
The canonical SMILES for 2-amino-N-cyclohexyl-1-[(E)-(4-fluorophenyl)methylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide is Nc1c(C(=O)NC2CCCCC2)c2nc3ccccc3nc2n1/N=C/c1ccc(F)cc1.
What is the InChIKey of 2-amino-N-cyclohexyl-1-[(E)-(4-fluorophenyl)methylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide?
The InChIKey is LZMBIQAMMRLVAY-MZJWZYIUSA-N. The full InChI is InChI=1S/C24H23FN6O/c25-16-12-10-15(11-13-16)14-27-31-22(26)20(24(32)28-17-6-2-1-3-7-17)21-23(31)30-19-9-5-4-8-18(19)29-21/h4-5,8-14,17H,1-3,6-7,26H2,(H,28,32)/b27-14+.
What are the key properties of 2-amino-N-cyclohexyl-1-[(E)-(4-fluorophenyl)methylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide?
2-amino-N-cyclohexyl-1-[(E)-(4-fluorophenyl)methylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide has a molecular weight of 430.49 g/mol, XLogP of 4.25, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-cyclohexyl-1-[(E)-(4-fluorophenyl)methylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide is sourced from PubChem (CID 6888871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).