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

C19H18FN3O — CID 44537221

IUPAC7-ethoxy-N-[(3-fluorophenyl)methylideneamino]-2-methylquinolin-4-amine
SMILESCCOc1ccc2c(NN=Cc3cccc(F)c3)cc(C)nc2c1
InChIInChI=1S/C19H18FN3O/c1-3-24-16-7-8-17-18(11-16)22-13(2)9-19(17)23-21-12-14-5-4-6-15(20)10-14/h4-12H,3H2,1-2H3,(H,22,23)
InChIKeyUVQDKIYZBFFXBH-UHFFFAOYSA-N
MW323.37 g/mol
LogP4.53
Rot. Bonds5

About 7-ethoxy-N-[(3-fluorophenyl)methylideneamino]-2-methylquinolin-4-amine

7-ethoxy-N-[(3-fluorophenyl)methylideneamino]-2-methylquinolin-4-amine (PubChem CID 44537221) has the molecular formula C19H18FN3O and a molecular weight of 323.37 g/mol. Its IUPAC name is 7-ethoxy-N-[(3-fluorophenyl)methylideneamino]-2-methylquinolin-4-amine.

Molecular Properties

Compound Name7-ethoxy-N-[(3-fluorophenyl)methylideneamino]-2-methylquinolin-4-amine
PubChem CID44537221
Molecular FormulaC19H18FN3O
Molecular Weight323.37 g/mol
Exact Mass323.14
IUPAC Name7-ethoxy-N-[(3-fluorophenyl)methylideneamino]-2-methylquinolin-4-amine
SMILESCCOc1ccc2c(NN=Cc3cccc(F)c3)cc(C)nc2c1
InChIInChI=1S/C19H18FN3O/c1-3-24-16-7-8-17-18(11-16)22-13(2)9-19(17)23-21-12-14-5-4-6-15(20)10-14/h4-12H,3H2,1-2H3,(H,22,23)
InChIKeyUVQDKIYZBFFXBH-UHFFFAOYSA-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'}

Analyze 7-ethoxy-N-[(3-fluorophenyl)methylideneamino]-2-methylquinolin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-ethoxy-N-[(3-fluorophenyl)methylideneamino]-2-methylquinolin-4-amine?
The IUPAC name of 7-ethoxy-N-[(3-fluorophenyl)methylideneamino]-2-methylquinolin-4-amine (CID 44537221) is 7-ethoxy-N-[(3-fluorophenyl)methylideneamino]-2-methylquinolin-4-amine.
What is the SMILES notation for 7-ethoxy-N-[(3-fluorophenyl)methylideneamino]-2-methylquinolin-4-amine?
The canonical SMILES for 7-ethoxy-N-[(3-fluorophenyl)methylideneamino]-2-methylquinolin-4-amine is CCOc1ccc2c(NN=Cc3cccc(F)c3)cc(C)nc2c1.
What is the InChIKey of 7-ethoxy-N-[(3-fluorophenyl)methylideneamino]-2-methylquinolin-4-amine?
The InChIKey is UVQDKIYZBFFXBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O/c1-3-24-16-7-8-17-18(11-16)22-13(2)9-19(17)23-21-12-14-5-4-6-15(20)10-14/h4-12H,3H2,1-2H3,(H,22,23).
What are the key properties of 7-ethoxy-N-[(3-fluorophenyl)methylideneamino]-2-methylquinolin-4-amine?
7-ethoxy-N-[(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 7-ethoxy-N-[(3-fluorophenyl)methylideneamino]-2-methylquinolin-4-amine is sourced from PubChem (CID 44537221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).