N-[(2-chlorophenyl)methylideneamino]-6-ethoxy-2-methylquinolin-4-amine

C19H18ClN3O — CID 44537117

IUPACN-[(2-chlorophenyl)methylideneamino]-6-ethoxy-2-methylquinolin-4-amine
SMILESCCOc1ccc2nc(C)cc(NN=Cc3ccccc3Cl)c2c1
InChIInChI=1S/C19H18ClN3O/c1-3-24-15-8-9-18-16(11-15)19(10-13(2)22-18)23-21-12-14-6-4-5-7-17(14)20/h4-12H,3H2,1-2H3,(H,22,23)
InChIKeyQMLWPUJVAPXWLO-UHFFFAOYSA-N
MW339.83 g/mol
LogP5.04
Rot. Bonds5

About N-[(2-chlorophenyl)methylideneamino]-6-ethoxy-2-methylquinolin-4-amine

N-[(2-chlorophenyl)methylideneamino]-6-ethoxy-2-methylquinolin-4-amine (PubChem CID 44537117) has the molecular formula C19H18ClN3O and a molecular weight of 339.83 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methylideneamino]-6-ethoxy-2-methylquinolin-4-amine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methylideneamino]-6-ethoxy-2-methylquinolin-4-amine
PubChem CID44537117
Molecular FormulaC19H18ClN3O
Molecular Weight339.83 g/mol
Exact Mass339.11
IUPAC NameN-[(2-chlorophenyl)methylideneamino]-6-ethoxy-2-methylquinolin-4-amine
SMILESCCOc1ccc2nc(C)cc(NN=Cc3ccccc3Cl)c2c1
InChIInChI=1S/C19H18ClN3O/c1-3-24-15-8-9-18-16(11-15)19(10-13(2)22-18)23-21-12-14-6-4-5-7-17(14)20/h4-12H,3H2,1-2H3,(H,22,23)
InChIKeyQMLWPUJVAPXWLO-UHFFFAOYSA-N
XLogP5.04
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.83
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[(2-chlorophenyl)methylideneamino]-6-ethoxy-2-methylquinolin-4-amine?
The IUPAC name of N-[(2-chlorophenyl)methylideneamino]-6-ethoxy-2-methylquinolin-4-amine (CID 44537117) is N-[(2-chlorophenyl)methylideneamino]-6-ethoxy-2-methylquinolin-4-amine.
What is the SMILES notation for N-[(2-chlorophenyl)methylideneamino]-6-ethoxy-2-methylquinolin-4-amine?
The canonical SMILES for N-[(2-chlorophenyl)methylideneamino]-6-ethoxy-2-methylquinolin-4-amine is CCOc1ccc2nc(C)cc(NN=Cc3ccccc3Cl)c2c1.
What is the InChIKey of N-[(2-chlorophenyl)methylideneamino]-6-ethoxy-2-methylquinolin-4-amine?
The InChIKey is QMLWPUJVAPXWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O/c1-3-24-15-8-9-18-16(11-15)19(10-13(2)22-18)23-21-12-14-6-4-5-7-17(14)20/h4-12H,3H2,1-2H3,(H,22,23).
What are the key properties of N-[(2-chlorophenyl)methylideneamino]-6-ethoxy-2-methylquinolin-4-amine?
N-[(2-chlorophenyl)methylideneamino]-6-ethoxy-2-methylquinolin-4-amine has a molecular weight of 339.83 g/mol, XLogP of 5.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methylideneamino]-6-ethoxy-2-methylquinolin-4-amine is sourced from PubChem (CID 44537117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).