N-[(3-fluorophenyl)methylideneamino]-2,8-dimethylquinolin-4-amine

C18H16FN3 — CID 44537110

IUPACN-[(3-fluorophenyl)methylideneamino]-2,8-dimethylquinolin-4-amine
SMILESCc1cc(NN=Cc2cccc(F)c2)c2cccc(C)c2n1
InChIInChI=1S/C18H16FN3/c1-12-5-3-8-16-17(9-13(2)21-18(12)16)22-20-11-14-6-4-7-15(19)10-14/h3-11H,1-2H3,(H,21,22)
InChIKeyBNYUFMUCSQJBKB-UHFFFAOYSA-N
MW293.35 g/mol
LogP4.44
Rot. Bonds3

About N-[(3-fluorophenyl)methylideneamino]-2,8-dimethylquinolin-4-amine

N-[(3-fluorophenyl)methylideneamino]-2,8-dimethylquinolin-4-amine (PubChem CID 44537110) has the molecular formula C18H16FN3 and a molecular weight of 293.35 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methylideneamino]-2,8-dimethylquinolin-4-amine.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methylideneamino]-2,8-dimethylquinolin-4-amine
PubChem CID44537110
Molecular FormulaC18H16FN3
Molecular Weight293.35 g/mol
Exact Mass293.13
IUPAC NameN-[(3-fluorophenyl)methylideneamino]-2,8-dimethylquinolin-4-amine
SMILESCc1cc(NN=Cc2cccc(F)c2)c2cccc(C)c2n1
InChIInChI=1S/C18H16FN3/c1-12-5-3-8-16-17(9-13(2)21-18(12)16)22-20-11-14-6-4-7-15(19)10-14/h3-11H,1-2H3,(H,21,22)
InChIKeyBNYUFMUCSQJBKB-UHFFFAOYSA-N
XLogP4.44
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[(3-fluorophenyl)methylideneamino]-2,8-dimethylquinolin-4-amine?
The IUPAC name of N-[(3-fluorophenyl)methylideneamino]-2,8-dimethylquinolin-4-amine (CID 44537110) is N-[(3-fluorophenyl)methylideneamino]-2,8-dimethylquinolin-4-amine.
What is the SMILES notation for N-[(3-fluorophenyl)methylideneamino]-2,8-dimethylquinolin-4-amine?
The canonical SMILES for N-[(3-fluorophenyl)methylideneamino]-2,8-dimethylquinolin-4-amine is Cc1cc(NN=Cc2cccc(F)c2)c2cccc(C)c2n1.
What is the InChIKey of N-[(3-fluorophenyl)methylideneamino]-2,8-dimethylquinolin-4-amine?
The InChIKey is BNYUFMUCSQJBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3/c1-12-5-3-8-16-17(9-13(2)21-18(12)16)22-20-11-14-6-4-7-15(19)10-14/h3-11H,1-2H3,(H,21,22).
What are the key properties of N-[(3-fluorophenyl)methylideneamino]-2,8-dimethylquinolin-4-amine?
N-[(3-fluorophenyl)methylideneamino]-2,8-dimethylquinolin-4-amine has a molecular weight of 293.35 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methylideneamino]-2,8-dimethylquinolin-4-amine is sourced from PubChem (CID 44537110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).