N-[(E)-1-(3,4-dimethoxyphenyl)ethylideneamino]-3-methylquinoxalin-2-amine

C19H20N4O2 — CID 5336606

IUPACN-[(E)-1-(3,4-dimethoxyphenyl)ethylideneamino]-3-methylquinoxalin-2-amine
SMILESCOc1ccc(/C(C)=N/Nc2nc3ccccc3nc2C)cc1OC
InChIInChI=1S/C19H20N4O2/c1-12(14-9-10-17(24-3)18(11-14)25-4)22-23-19-13(2)20-15-7-5-6-8-16(15)21-19/h5-11H,1-4H3,(H,21,23)/b22-12+
InChIKeyREGCEEMYKZEAEG-WSDLNYQXSA-N
MW336.40 g/mol
LogP3.79
Rot. Bonds5

About N-[(E)-1-(3,4-dimethoxyphenyl)ethylideneamino]-3-methylquinoxalin-2-amine

N-[(E)-1-(3,4-dimethoxyphenyl)ethylideneamino]-3-methylquinoxalin-2-amine (PubChem CID 5336606) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is N-[(E)-1-(3,4-dimethoxyphenyl)ethylideneamino]-3-methylquinoxalin-2-amine.

Molecular Properties

Compound NameN-[(E)-1-(3,4-dimethoxyphenyl)ethylideneamino]-3-methylquinoxalin-2-amine
PubChem CID5336606
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC NameN-[(E)-1-(3,4-dimethoxyphenyl)ethylideneamino]-3-methylquinoxalin-2-amine
SMILESCOc1ccc(/C(C)=N/Nc2nc3ccccc3nc2C)cc1OC
InChIInChI=1S/C19H20N4O2/c1-12(14-9-10-17(24-3)18(11-14)25-4)22-23-19-13(2)20-15-7-5-6-8-16(15)21-19/h5-11H,1-4H3,(H,21,23)/b22-12+
InChIKeyREGCEEMYKZEAEG-WSDLNYQXSA-N
XLogP3.79
TPSA68.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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Related Compounds

CID 5335051
CID 5335051
N-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]quinolin-2-amine
CID 9610413
4-{(2E)-2-[1-(3,4-dimethoxyphenyl)ethylidene]hydrazinyl}[1,2,4]triazolo[4,3-a]quinoxaline
CID 9623642
2-{(2E)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl}-3-methylquinoxaline
CID 9666713
2-{(1E)-1-[2-(3-methylquinoxalin-2-yl)hydrazinylidene]ethyl}phenol
CID 135411632
6,7-Dimethoxy-3-(3-methoxyphenyl)isoquinolin-1-amine
CID 46931244
6,7-Dimethoxy-3-phenylisoquinolin-1-amine
CID 49844147
6,7-Dimethoxy-3-(2-methylphenyl)isoquinolin-1-amine
CID 49844152
2-(3,4-Dimethoxyphenyl)-3-phenylquinoxaline
CID 852561
3-(3,4-Dimethoxyphenyl)quinolin-2-amine
CID 1480774
2-[(3,7-Diaminoquinoxali ne
CID 406625
2,3-Bis(3,4-dimethoxyphenyl)quinoxaline
CID 1145601

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(3,4-dimethoxyphenyl)ethylideneamino]-3-methylquinoxalin-2-amine?
The IUPAC name of N-[(E)-1-(3,4-dimethoxyphenyl)ethylideneamino]-3-methylquinoxalin-2-amine (CID 5336606) is N-[(E)-1-(3,4-dimethoxyphenyl)ethylideneamino]-3-methylquinoxalin-2-amine.
What is the SMILES notation for N-[(E)-1-(3,4-dimethoxyphenyl)ethylideneamino]-3-methylquinoxalin-2-amine?
The canonical SMILES for N-[(E)-1-(3,4-dimethoxyphenyl)ethylideneamino]-3-methylquinoxalin-2-amine is COc1ccc(/C(C)=N/Nc2nc3ccccc3nc2C)cc1OC.
What is the InChIKey of N-[(E)-1-(3,4-dimethoxyphenyl)ethylideneamino]-3-methylquinoxalin-2-amine?
The InChIKey is REGCEEMYKZEAEG-WSDLNYQXSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-12(14-9-10-17(24-3)18(11-14)25-4)22-23-19-13(2)20-15-7-5-6-8-16(15)21-19/h5-11H,1-4H3,(H,21,23)/b22-12+.
What are the key properties of N-[(E)-1-(3,4-dimethoxyphenyl)ethylideneamino]-3-methylquinoxalin-2-amine?
N-[(E)-1-(3,4-dimethoxyphenyl)ethylideneamino]-3-methylquinoxalin-2-amine has a molecular weight of 336.40 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(3,4-dimethoxyphenyl)ethylideneamino]-3-methylquinoxalin-2-amine is sourced from PubChem (CID 5336606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).