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

C17H13F2N3 — CID 44537201

IUPAC6-fluoro-N-[(3-fluorophenyl)methylideneamino]-2-methylquinolin-4-amine
SMILESCc1cc(NN=Cc2cccc(F)c2)c2cc(F)ccc2n1
InChIInChI=1S/C17H13F2N3/c1-11-7-17(15-9-14(19)5-6-16(15)21-11)22-20-10-12-3-2-4-13(18)8-12/h2-10H,1H3,(H,21,22)
InChIKeyGAXYAGZXMFPIMD-UHFFFAOYSA-N
MW297.31 g/mol
LogP4.27
Rot. Bonds3

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

6-fluoro-N-[(3-fluorophenyl)methylideneamino]-2-methylquinolin-4-amine (PubChem CID 44537201) has the molecular formula C17H13F2N3 and a molecular weight of 297.31 g/mol. Its IUPAC name is 6-fluoro-N-[(3-fluorophenyl)methylideneamino]-2-methylquinolin-4-amine.

Molecular Properties

Compound Name6-fluoro-N-[(3-fluorophenyl)methylideneamino]-2-methylquinolin-4-amine
PubChem CID44537201
Molecular FormulaC17H13F2N3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC Name6-fluoro-N-[(3-fluorophenyl)methylideneamino]-2-methylquinolin-4-amine
SMILESCc1cc(NN=Cc2cccc(F)c2)c2cc(F)ccc2n1
InChIInChI=1S/C17H13F2N3/c1-11-7-17(15-9-14(19)5-6-16(15)21-11)22-20-10-12-3-2-4-13(18)8-12/h2-10H,1H3,(H,21,22)
InChIKeyGAXYAGZXMFPIMD-UHFFFAOYSA-N
XLogP4.27
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 54.27
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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Related Compounds

N-(benzylideneamino)-6-fluoro-2-methylquinolin-4-amine
CID 44537203
N-[(E)-(3-chlorophenyl)methylideneamino]-6-fluoro-2-methylquinolin-4-amine
CID 45481380
6-ethoxy-N-[(E)-(3-fluorophenyl)methylideneamino]-2-methylquinolin-4-amine
CID 45480710
N-[(3-fluorophenyl)methylideneamino]-2,8-dimethylquinolin-4-amine
CID 44537110
3-[[(2,6-dimethylquinolin-4-yl)hydrazinylidene]methyl]phenol
CID 3141483
N-[(3-chlorophenyl)methylideneamino]-6-methoxy-2-methylquinolin-4-amine
CID 44537106
N-[(E)-(3-chlorophenyl)methylideneamino]-6-methoxy-2-methylquinolin-4-amine
CID 45480852
N-[(E)-(4-fluorophenyl)methylideneamino]-2,8-dimethylquinolin-4-amine
CID 45481253
N-[(4-fluorophenyl)methylideneamino]-7-methoxy-2-methylquinolin-4-amine
CID 44537115
N-[(E)-(3-fluorophenyl)methylideneamino]quinolin-4-amine
CID 45481342
N-[(E)-(3-fluorophenyl)methylideneamino]quinolin-8-amine
CID 19164942
N-[(2-chlorophenyl)methylideneamino]-2,6-dimethylquinolin-4-amine
CID 44537092

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[(3-fluorophenyl)methylideneamino]-2-methylquinolin-4-amine?
The IUPAC name of 6-fluoro-N-[(3-fluorophenyl)methylideneamino]-2-methylquinolin-4-amine (CID 44537201) is 6-fluoro-N-[(3-fluorophenyl)methylideneamino]-2-methylquinolin-4-amine.
What is the SMILES notation for 6-fluoro-N-[(3-fluorophenyl)methylideneamino]-2-methylquinolin-4-amine?
The canonical SMILES for 6-fluoro-N-[(3-fluorophenyl)methylideneamino]-2-methylquinolin-4-amine is Cc1cc(NN=Cc2cccc(F)c2)c2cc(F)ccc2n1.
What is the InChIKey of 6-fluoro-N-[(3-fluorophenyl)methylideneamino]-2-methylquinolin-4-amine?
The InChIKey is GAXYAGZXMFPIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N3/c1-11-7-17(15-9-14(19)5-6-16(15)21-11)22-20-10-12-3-2-4-13(18)8-12/h2-10H,1H3,(H,21,22).
What are the key properties of 6-fluoro-N-[(3-fluorophenyl)methylideneamino]-2-methylquinolin-4-amine?
6-fluoro-N-[(3-fluorophenyl)methylideneamino]-2-methylquinolin-4-amine has a molecular weight of 297.31 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[(3-fluorophenyl)methylideneamino]-2-methylquinolin-4-amine is sourced from PubChem (CID 44537201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).