2-N-[(4-fluorophenyl)methyl]quinoline-2,6-diamine

C16H14FN3 — CID 43450871

IUPAC2-N-[(4-fluorophenyl)methyl]quinoline-2,6-diamine
SMILESNc1ccc2nc(NCc3ccc(F)cc3)ccc2c1
InChIInChI=1S/C16H14FN3/c17-13-4-1-11(2-5-13)10-19-16-8-3-12-9-14(18)6-7-15(12)20-16/h1-9H,10,18H2,(H,19,20)
InChIKeyFGVJGFZDPZXWGN-UHFFFAOYSA-N
MW267.31 g/mol
LogP3.57
Rot. Bonds3

About 2-N-[(4-fluorophenyl)methyl]quinoline-2,6-diamine

2-N-[(4-fluorophenyl)methyl]quinoline-2,6-diamine (PubChem CID 43450871) has the molecular formula C16H14FN3 and a molecular weight of 267.31 g/mol. Its IUPAC name is 2-N-[(4-fluorophenyl)methyl]quinoline-2,6-diamine.

Molecular Properties

Compound Name2-N-[(4-fluorophenyl)methyl]quinoline-2,6-diamine
PubChem CID43450871
Molecular FormulaC16H14FN3
Molecular Weight267.31 g/mol
Exact Mass267.12
IUPAC Name2-N-[(4-fluorophenyl)methyl]quinoline-2,6-diamine
SMILESNc1ccc2nc(NCc3ccc(F)cc3)ccc2c1
InChIInChI=1S/C16H14FN3/c17-13-4-1-11(2-5-13)10-19-16-8-3-12-9-14(18)6-7-15(12)20-16/h1-9H,10,18H2,(H,19,20)
InChIKeyFGVJGFZDPZXWGN-UHFFFAOYSA-N
XLogP3.57
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-N-[(4-fluorophenyl)methyl]quinoline-2,6-diamine with MolForge

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

Launch Full Analysis

Related Compounds

2-N-(pyridin-4-ylmethyl)quinoline-2,6-diamine
CID 43450886
2-N-[(4-methoxyphenyl)methyl]quinoline-2,6-diamine
CID 43450854
2-[(6-aminoquinolin-2-yl)amino]ethanol
CID 43450889
2-N-[(4,5-dimethylthiophen-2-yl)methyl]quinoline-2,6-diamine
CID 65246656
2-N-[(5-methylthiophen-2-yl)methyl]quinoline-2,6-diamine
CID 62057050
4-N-[(4-fluorophenyl)methyl]-6-hydrazinylpyrimidine-2,4-diamine
CID 80943551
6-N-[(4-fluorophenyl)methyl]-2-N,2-N-dimethylpyridine-2,3,6-triamine
CID 58097580
3-[(6-aminoquinolin-2-yl)amino]propane-1,2-diol
CID 66175697
2-N-(3-fluorophenyl)quinoline-2,6-diamine
CID 43450955
2-[(6-aminoquinolin-2-yl)amino]-5-fluorobenzonitrile
CID 82012937
1-N-[(4-fluorophenyl)methyl]-2-iodobenzene-1,4-diamine
CID 66094964
6-N-[(4-fluorophenyl)methyl]-2-N-propylpyridine-2,3,6-triamine
CID 66859546

Frequently Asked Questions

What is the IUPAC name of 2-N-[(4-fluorophenyl)methyl]quinoline-2,6-diamine?
The IUPAC name of 2-N-[(4-fluorophenyl)methyl]quinoline-2,6-diamine (CID 43450871) is 2-N-[(4-fluorophenyl)methyl]quinoline-2,6-diamine.
What is the SMILES notation for 2-N-[(4-fluorophenyl)methyl]quinoline-2,6-diamine?
The canonical SMILES for 2-N-[(4-fluorophenyl)methyl]quinoline-2,6-diamine is Nc1ccc2nc(NCc3ccc(F)cc3)ccc2c1.
What is the InChIKey of 2-N-[(4-fluorophenyl)methyl]quinoline-2,6-diamine?
The InChIKey is FGVJGFZDPZXWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3/c17-13-4-1-11(2-5-13)10-19-16-8-3-12-9-14(18)6-7-15(12)20-16/h1-9H,10,18H2,(H,19,20).
What are the key properties of 2-N-[(4-fluorophenyl)methyl]quinoline-2,6-diamine?
2-N-[(4-fluorophenyl)methyl]quinoline-2,6-diamine has a molecular weight of 267.31 g/mol, XLogP of 3.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(4-fluorophenyl)methyl]quinoline-2,6-diamine is sourced from PubChem (CID 43450871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).