N-[(4-fluorophenyl)methylideneamino]-6-methoxyquinolin-4-amine

C17H14FN3O — CID 44537160

IUPACN-[(4-fluorophenyl)methylideneamino]-6-methoxyquinolin-4-amine
SMILESCOc1ccc2nccc(NN=Cc3ccc(F)cc3)c2c1
InChIInChI=1S/C17H14FN3O/c1-22-14-6-7-16-15(10-14)17(8-9-19-16)21-20-11-12-2-4-13(18)5-3-12/h2-11H,1H3,(H,19,21)
InChIKeyQQWZVZGBCCNHEG-UHFFFAOYSA-N
MW295.32 g/mol
LogP3.83
Rot. Bonds4

About N-[(4-fluorophenyl)methylideneamino]-6-methoxyquinolin-4-amine

N-[(4-fluorophenyl)methylideneamino]-6-methoxyquinolin-4-amine (PubChem CID 44537160) has the molecular formula C17H14FN3O and a molecular weight of 295.32 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methylideneamino]-6-methoxyquinolin-4-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methylideneamino]-6-methoxyquinolin-4-amine
PubChem CID44537160
Molecular FormulaC17H14FN3O
Molecular Weight295.32 g/mol
Exact Mass295.11
IUPAC NameN-[(4-fluorophenyl)methylideneamino]-6-methoxyquinolin-4-amine
SMILESCOc1ccc2nccc(NN=Cc3ccc(F)cc3)c2c1
InChIInChI=1S/C17H14FN3O/c1-22-14-6-7-16-15(10-14)17(8-9-19-16)21-20-11-12-2-4-13(18)5-3-12/h2-11H,1H3,(H,19,21)
InChIKeyQQWZVZGBCCNHEG-UHFFFAOYSA-N
XLogP3.83
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 53.83
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-[(4-fluorophenyl)methylideneamino]-6-methoxyquinolin-4-amine?
The IUPAC name of N-[(4-fluorophenyl)methylideneamino]-6-methoxyquinolin-4-amine (CID 44537160) is N-[(4-fluorophenyl)methylideneamino]-6-methoxyquinolin-4-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methylideneamino]-6-methoxyquinolin-4-amine?
The canonical SMILES for N-[(4-fluorophenyl)methylideneamino]-6-methoxyquinolin-4-amine is COc1ccc2nccc(NN=Cc3ccc(F)cc3)c2c1.
What is the InChIKey of N-[(4-fluorophenyl)methylideneamino]-6-methoxyquinolin-4-amine?
The InChIKey is QQWZVZGBCCNHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O/c1-22-14-6-7-16-15(10-14)17(8-9-19-16)21-20-11-12-2-4-13(18)5-3-12/h2-11H,1H3,(H,19,21).
What are the key properties of N-[(4-fluorophenyl)methylideneamino]-6-methoxyquinolin-4-amine?
N-[(4-fluorophenyl)methylideneamino]-6-methoxyquinolin-4-amine has a molecular weight of 295.32 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methylideneamino]-6-methoxyquinolin-4-amine is sourced from PubChem (CID 44537160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).