8-N-[(3-fluorophenyl)methyl]quinoline-5,8-diamine

C16H14FN3 — CID 43450144

IUPAC8-N-[(3-fluorophenyl)methyl]quinoline-5,8-diamine
SMILESNc1ccc(NCc2cccc(F)c2)c2ncccc12
InChIInChI=1S/C16H14FN3/c17-12-4-1-3-11(9-12)10-20-15-7-6-14(18)13-5-2-8-19-16(13)15/h1-9,20H,10,18H2
InChIKeyOQMDMZBSAHVIMO-UHFFFAOYSA-N
MW267.31 g/mol
LogP3.57
Rot. Bonds3

About 8-N-[(3-fluorophenyl)methyl]quinoline-5,8-diamine

8-N-[(3-fluorophenyl)methyl]quinoline-5,8-diamine (PubChem CID 43450144) has the molecular formula C16H14FN3 and a molecular weight of 267.31 g/mol. Its IUPAC name is 8-N-[(3-fluorophenyl)methyl]quinoline-5,8-diamine.

Molecular Properties

Compound Name8-N-[(3-fluorophenyl)methyl]quinoline-5,8-diamine
PubChem CID43450144
Molecular FormulaC16H14FN3
Molecular Weight267.31 g/mol
Exact Mass267.12
IUPAC Name8-N-[(3-fluorophenyl)methyl]quinoline-5,8-diamine
SMILESNc1ccc(NCc2cccc(F)c2)c2ncccc12
InChIInChI=1S/C16H14FN3/c17-12-4-1-3-11(9-12)10-20-15-7-6-14(18)13-5-2-8-19-16(13)15/h1-9,20H,10,18H2
InChIKeyOQMDMZBSAHVIMO-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'}

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Related Compounds

5-N-[(3-fluorophenyl)methyl]isoquinoline-5,8-diamine
CID 43448730
8-N-(thiophen-3-ylmethyl)quinoline-5,8-diamine
CID 55173328
8-N-[(3-fluorophenyl)methyl]-8-N-methylquinoline-5,8-diamine
CID 43450087
2-N-[(3-fluorophenyl)methyl]benzene-1,2-diamine
CID 28970511
8-N-(3-phenylpropyl)quinoline-5,8-diamine
CID 60904771
2-[(5-aminoquinolin-8-yl)amino]ethanol
CID 43450143
6-chloro-N-[(3-fluorophenyl)methyl]-8-methylquinolin-5-amine
CID 43674609
N-[(3-fluorophenyl)methyl]-2-methoxypyridin-3-amine
CID 43721741
5-N-[(3-fluorophenyl)methyl]-5-N-methylquinoline-5,8-diamine
CID 43449405
8-N-(3,4,5-trifluorophenyl)quinoline-5,8-diamine
CID 62809309
5-chloro-N-[(4-fluoro-3-methylphenyl)methyl]quinolin-8-amine
CID 63448788
8-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinoline-5,8-diamine
CID 79223061

Frequently Asked Questions

What is the IUPAC name of 8-N-[(3-fluorophenyl)methyl]quinoline-5,8-diamine?
The IUPAC name of 8-N-[(3-fluorophenyl)methyl]quinoline-5,8-diamine (CID 43450144) is 8-N-[(3-fluorophenyl)methyl]quinoline-5,8-diamine.
What is the SMILES notation for 8-N-[(3-fluorophenyl)methyl]quinoline-5,8-diamine?
The canonical SMILES for 8-N-[(3-fluorophenyl)methyl]quinoline-5,8-diamine is Nc1ccc(NCc2cccc(F)c2)c2ncccc12.
What is the InChIKey of 8-N-[(3-fluorophenyl)methyl]quinoline-5,8-diamine?
The InChIKey is OQMDMZBSAHVIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3/c17-12-4-1-3-11(9-12)10-20-15-7-6-14(18)13-5-2-8-19-16(13)15/h1-9,20H,10,18H2.
What are the key properties of 8-N-[(3-fluorophenyl)methyl]quinoline-5,8-diamine?
8-N-[(3-fluorophenyl)methyl]quinoline-5,8-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 8-N-[(3-fluorophenyl)methyl]quinoline-5,8-diamine is sourced from PubChem (CID 43450144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).