N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-6-methoxyquinolin-4-amine

C21H24N4O — CID 24805649

IUPACN-[(E)-[4-(diethylamino)phenyl]methylideneamino]-6-methoxyquinolin-4-amine
SMILESCCN(CC)c1ccc(/C=N/Nc2ccnc3ccc(OC)cc23)cc1
InChIInChI=1S/C21H24N4O/c1-4-25(5-2)17-8-6-16(7-9-17)15-23-24-21-12-13-22-20-11-10-18(26-3)14-19(20)21/h6-15H,4-5H2,1-3H3,(H,22,24)/b23-15+
InChIKeyWZGLSAXAMYWEHN-HZHRSRAPSA-N
MW348.45 g/mol
LogP4.54
Rot. Bonds7

About N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-6-methoxyquinolin-4-amine

N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-6-methoxyquinolin-4-amine (PubChem CID 24805649) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-6-methoxyquinolin-4-amine.

Molecular Properties

Compound NameN-[(E)-[4-(diethylamino)phenyl]methylideneamino]-6-methoxyquinolin-4-amine
PubChem CID24805649
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC NameN-[(E)-[4-(diethylamino)phenyl]methylideneamino]-6-methoxyquinolin-4-amine
SMILESCCN(CC)c1ccc(/C=N/Nc2ccnc3ccc(OC)cc23)cc1
InChIInChI=1S/C21H24N4O/c1-4-25(5-2)17-8-6-16(7-9-17)15-23-24-21-12-13-22-20-11-10-18(26-3)14-19(20)21/h6-15H,4-5H2,1-3H3,(H,22,24)/b23-15+
InChIKeyWZGLSAXAMYWEHN-HZHRSRAPSA-N
XLogP4.54
TPSA49.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.54
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)-[4-(diethylamino)phenyl]methylideneamino]-6-methoxyquinolin-4-amine?
The IUPAC name of N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-6-methoxyquinolin-4-amine (CID 24805649) is N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-6-methoxyquinolin-4-amine.
What is the SMILES notation for N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-6-methoxyquinolin-4-amine?
The canonical SMILES for N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-6-methoxyquinolin-4-amine is CCN(CC)c1ccc(/C=N/Nc2ccnc3ccc(OC)cc23)cc1.
What is the InChIKey of N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-6-methoxyquinolin-4-amine?
The InChIKey is WZGLSAXAMYWEHN-HZHRSRAPSA-N. The full InChI is InChI=1S/C21H24N4O/c1-4-25(5-2)17-8-6-16(7-9-17)15-23-24-21-12-13-22-20-11-10-18(26-3)14-19(20)21/h6-15H,4-5H2,1-3H3,(H,22,24)/b23-15+.
What are the key properties of N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-6-methoxyquinolin-4-amine?
N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-6-methoxyquinolin-4-amine has a molecular weight of 348.45 g/mol, XLogP of 4.54, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-6-methoxyquinolin-4-amine is sourced from PubChem (CID 24805649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).