N-[(E)-1-(2-amino-5-chlorophenyl)ethylideneamino]-N-methylquinolin-2-amine

C18H17ClN4 — CID 89327099

IUPACN-[(E)-1-(2-amino-5-chlorophenyl)ethylideneamino]-N-methylquinolin-2-amine
SMILESC/C(=N\N(C)c1ccc2ccccc2n1)c1cc(Cl)ccc1N
InChIInChI=1S/C18H17ClN4/c1-12(15-11-14(19)8-9-16(15)20)22-23(2)18-10-7-13-5-3-4-6-17(13)21-18/h3-11H,20H2,1-2H3/b22-12+
InChIKeyWRDFOQKAVPCEIQ-WSDLNYQXSA-N
MW324.82 g/mol
LogP4.33
Rot. Bonds3

About N-[(E)-1-(2-amino-5-chlorophenyl)ethylideneamino]-N-methylquinolin-2-amine

N-[(E)-1-(2-amino-5-chlorophenyl)ethylideneamino]-N-methylquinolin-2-amine (PubChem CID 89327099) has the molecular formula C18H17ClN4 and a molecular weight of 324.82 g/mol. Its IUPAC name is N-[(E)-1-(2-amino-5-chlorophenyl)ethylideneamino]-N-methylquinolin-2-amine.

Molecular Properties

Compound NameN-[(E)-1-(2-amino-5-chlorophenyl)ethylideneamino]-N-methylquinolin-2-amine
PubChem CID89327099
Molecular FormulaC18H17ClN4
Molecular Weight324.82 g/mol
Exact Mass324.11
IUPAC NameN-[(E)-1-(2-amino-5-chlorophenyl)ethylideneamino]-N-methylquinolin-2-amine
SMILESC/C(=N\N(C)c1ccc2ccccc2n1)c1cc(Cl)ccc1N
InChIInChI=1S/C18H17ClN4/c1-12(15-11-14(19)8-9-16(15)20)22-23(2)18-10-7-13-5-3-4-6-17(13)21-18/h3-11H,20H2,1-2H3/b22-12+
InChIKeyWRDFOQKAVPCEIQ-WSDLNYQXSA-N
XLogP4.33
TPSA54.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.82
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'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-(2-amino-5-chlorophenyl)ethylideneamino]-N-methylquinolin-2-amine?
The IUPAC name of N-[(E)-1-(2-amino-5-chlorophenyl)ethylideneamino]-N-methylquinolin-2-amine (CID 89327099) is N-[(E)-1-(2-amino-5-chlorophenyl)ethylideneamino]-N-methylquinolin-2-amine.
What is the SMILES notation for N-[(E)-1-(2-amino-5-chlorophenyl)ethylideneamino]-N-methylquinolin-2-amine?
The canonical SMILES for N-[(E)-1-(2-amino-5-chlorophenyl)ethylideneamino]-N-methylquinolin-2-amine is C/C(=N\N(C)c1ccc2ccccc2n1)c1cc(Cl)ccc1N.
What is the InChIKey of N-[(E)-1-(2-amino-5-chlorophenyl)ethylideneamino]-N-methylquinolin-2-amine?
The InChIKey is WRDFOQKAVPCEIQ-WSDLNYQXSA-N. The full InChI is InChI=1S/C18H17ClN4/c1-12(15-11-14(19)8-9-16(15)20)22-23(2)18-10-7-13-5-3-4-6-17(13)21-18/h3-11H,20H2,1-2H3/b22-12+.
What are the key properties of N-[(E)-1-(2-amino-5-chlorophenyl)ethylideneamino]-N-methylquinolin-2-amine?
N-[(E)-1-(2-amino-5-chlorophenyl)ethylideneamino]-N-methylquinolin-2-amine has a molecular weight of 324.82 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(2-amino-5-chlorophenyl)ethylideneamino]-N-methylquinolin-2-amine is sourced from PubChem (CID 89327099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).