6-ethoxy-N-[(E)-(3-fluorophenyl)methylideneamino]-2-methylquinolin-4-amine

C19H18FN3O — CID 45480710

IUPAC6-ethoxy-N-[(E)-(3-fluorophenyl)methylideneamino]-2-methylquinolin-4-amine
SMILESCCOc1ccc2nc(C)cc(N/N=C/c3cccc(F)c3)c2c1
InChIInChI=1S/C19H18FN3O/c1-3-24-16-7-8-18-17(11-16)19(9-13(2)22-18)23-21-12-14-5-4-6-15(20)10-14/h4-12H,3H2,1-2H3,(H,22,23)/b21-12+
InChIKeyBRRLCQJTOBIDEG-CIAFOILYSA-N
MW323.37 g/mol
LogP4.53
Rot. Bonds5

About 6-ethoxy-N-[(E)-(3-fluorophenyl)methylideneamino]-2-methylquinolin-4-amine

6-ethoxy-N-[(E)-(3-fluorophenyl)methylideneamino]-2-methylquinolin-4-amine (PubChem CID 45480710) has the molecular formula C19H18FN3O and a molecular weight of 323.37 g/mol. Its IUPAC name is 6-ethoxy-N-[(E)-(3-fluorophenyl)methylideneamino]-2-methylquinolin-4-amine.

Molecular Properties

Compound Name6-ethoxy-N-[(E)-(3-fluorophenyl)methylideneamino]-2-methylquinolin-4-amine
PubChem CID45480710
Molecular FormulaC19H18FN3O
Molecular Weight323.37 g/mol
Exact Mass323.14
IUPAC Name6-ethoxy-N-[(E)-(3-fluorophenyl)methylideneamino]-2-methylquinolin-4-amine
SMILESCCOc1ccc2nc(C)cc(N/N=C/c3cccc(F)c3)c2c1
InChIInChI=1S/C19H18FN3O/c1-3-24-16-7-8-18-17(11-16)19(9-13(2)22-18)23-21-12-14-5-4-6-15(20)10-14/h4-12H,3H2,1-2H3,(H,22,23)/b21-12+
InChIKeyBRRLCQJTOBIDEG-CIAFOILYSA-N
XLogP4.53
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 54.53
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 6-ethoxy-N-[(E)-(3-fluorophenyl)methylideneamino]-2-methylquinolin-4-amine?
The IUPAC name of 6-ethoxy-N-[(E)-(3-fluorophenyl)methylideneamino]-2-methylquinolin-4-amine (CID 45480710) is 6-ethoxy-N-[(E)-(3-fluorophenyl)methylideneamino]-2-methylquinolin-4-amine.
What is the SMILES notation for 6-ethoxy-N-[(E)-(3-fluorophenyl)methylideneamino]-2-methylquinolin-4-amine?
The canonical SMILES for 6-ethoxy-N-[(E)-(3-fluorophenyl)methylideneamino]-2-methylquinolin-4-amine is CCOc1ccc2nc(C)cc(N/N=C/c3cccc(F)c3)c2c1.
What is the InChIKey of 6-ethoxy-N-[(E)-(3-fluorophenyl)methylideneamino]-2-methylquinolin-4-amine?
The InChIKey is BRRLCQJTOBIDEG-CIAFOILYSA-N. The full InChI is InChI=1S/C19H18FN3O/c1-3-24-16-7-8-18-17(11-16)19(9-13(2)22-18)23-21-12-14-5-4-6-15(20)10-14/h4-12H,3H2,1-2H3,(H,22,23)/b21-12+.
What are the key properties of 6-ethoxy-N-[(E)-(3-fluorophenyl)methylideneamino]-2-methylquinolin-4-amine?
6-ethoxy-N-[(E)-(3-fluorophenyl)methylideneamino]-2-methylquinolin-4-amine has a molecular weight of 323.37 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-N-[(E)-(3-fluorophenyl)methylideneamino]-2-methylquinolin-4-amine is sourced from PubChem (CID 45480710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).