N-[(E)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]-N-methylquinoxalin-2-amine

C18H18ClN5 — CID 58987662

IUPACN-[(E)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]-N-methylquinoxalin-2-amine
SMILESCNc1ccc(Cl)cc1/C(C)=N/N(C)c1cnc2ccccc2n1
InChIInChI=1S/C18H18ClN5/c1-12(14-10-13(19)8-9-15(14)20-2)23-24(3)18-11-21-16-6-4-5-7-17(16)22-18/h4-11,20H,1-3H3/b23-12+
InChIKeyUIGCFINMKSSQLQ-FSJBWODESA-N
MW339.83 g/mol
LogP4.19
Rot. Bonds4

About N-[(E)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]-N-methylquinoxalin-2-amine

N-[(E)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]-N-methylquinoxalin-2-amine (PubChem CID 58987662) has the molecular formula C18H18ClN5 and a molecular weight of 339.83 g/mol. Its IUPAC name is N-[(E)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]-N-methylquinoxalin-2-amine.

Molecular Properties

Compound NameN-[(E)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]-N-methylquinoxalin-2-amine
PubChem CID58987662
Molecular FormulaC18H18ClN5
Molecular Weight339.83 g/mol
Exact Mass339.13
IUPAC NameN-[(E)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]-N-methylquinoxalin-2-amine
SMILESCNc1ccc(Cl)cc1/C(C)=N/N(C)c1cnc2ccccc2n1
InChIInChI=1S/C18H18ClN5/c1-12(14-10-13(19)8-9-15(14)20-2)23-24(3)18-11-21-16-6-4-5-7-17(16)22-18/h4-11,20H,1-3H3/b23-12+
InChIKeyUIGCFINMKSSQLQ-FSJBWODESA-N
XLogP4.19
TPSA53.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.83
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]-N-methylquinoxalin-2-amine?
The IUPAC name of N-[(E)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]-N-methylquinoxalin-2-amine (CID 58987662) is N-[(E)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]-N-methylquinoxalin-2-amine.
What is the SMILES notation for N-[(E)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]-N-methylquinoxalin-2-amine?
The canonical SMILES for N-[(E)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]-N-methylquinoxalin-2-amine is CNc1ccc(Cl)cc1/C(C)=N/N(C)c1cnc2ccccc2n1.
What is the InChIKey of N-[(E)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]-N-methylquinoxalin-2-amine?
The InChIKey is UIGCFINMKSSQLQ-FSJBWODESA-N. The full InChI is InChI=1S/C18H18ClN5/c1-12(14-10-13(19)8-9-15(14)20-2)23-24(3)18-11-21-16-6-4-5-7-17(16)22-18/h4-11,20H,1-3H3/b23-12+.
What are the key properties of N-[(E)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]-N-methylquinoxalin-2-amine?
N-[(E)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]-N-methylquinoxalin-2-amine has a molecular weight of 339.83 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]-N-methylquinoxalin-2-amine is sourced from PubChem (CID 58987662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).