5-N-[2-(2-fluorophenyl)ethyl]quinoline-5,8-diamine

C17H16FN3 — CID 43449441

IUPAC5-N-[2-(2-fluorophenyl)ethyl]quinoline-5,8-diamine
SMILESNc1ccc(NCCc2ccccc2F)c2cccnc12
InChIInChI=1S/C17H16FN3/c18-14-6-2-1-4-12(14)9-11-20-16-8-7-15(19)17-13(16)5-3-10-21-17/h1-8,10,20H,9,11,19H2
InChIKeyHZKROYAEVWIOQZ-UHFFFAOYSA-N
MW281.33 g/mol
LogP3.61
Rot. Bonds4

About 5-N-[2-(2-fluorophenyl)ethyl]quinoline-5,8-diamine

5-N-[2-(2-fluorophenyl)ethyl]quinoline-5,8-diamine (PubChem CID 43449441) has the molecular formula C17H16FN3 and a molecular weight of 281.33 g/mol. Its IUPAC name is 5-N-[2-(2-fluorophenyl)ethyl]quinoline-5,8-diamine.

Molecular Properties

Compound Name5-N-[2-(2-fluorophenyl)ethyl]quinoline-5,8-diamine
PubChem CID43449441
Molecular FormulaC17H16FN3
Molecular Weight281.33 g/mol
Exact Mass281.13
IUPAC Name5-N-[2-(2-fluorophenyl)ethyl]quinoline-5,8-diamine
SMILESNc1ccc(NCCc2ccccc2F)c2cccnc12
InChIInChI=1S/C17H16FN3/c18-14-6-2-1-4-12(14)9-11-20-16-8-7-15(19)17-13(16)5-3-10-21-17/h1-8,10,20H,9,11,19H2
InChIKeyHZKROYAEVWIOQZ-UHFFFAOYSA-N
XLogP3.61
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 53.61
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-(2-pyridin-4-ylethyl)quinoline-5,8-diamine
CID 60915115
5-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]quinoline-5,8-diamine
CID 106393652
4-N-[2-(2-fluorophenyl)ethyl]quinoline-4,7-diamine
CID 103000150
N-[2-(2-chlorophenyl)ethyl]-8-fluoroquinolin-4-amine
CID 70114178
5-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]quinoline-5,8-diamine
CID 106035847
5-N-[2-(diethylamino)ethyl]quinoline-5,8-diamine
CID 43449423
5-N-(5-methylhexyl)quinoline-5,8-diamine
CID 115324702
2-chloro-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,4-diamine
CID 28903455
5-N-(2-iodophenyl)quinoline-5,8-diamine
CID 43449502
5-N-(3-pyrrolidin-1-ylpropyl)quinoline-5,8-diamine
CID 62991925
8-N-(3-phenylpropyl)quinoline-5,8-diamine
CID 60904771
5-N-(cyclohexylmethyl)quinoline-5,8-diamine
CID 43449567

Frequently Asked Questions

What is the IUPAC name of 5-N-[2-(2-fluorophenyl)ethyl]quinoline-5,8-diamine?
The IUPAC name of 5-N-[2-(2-fluorophenyl)ethyl]quinoline-5,8-diamine (CID 43449441) is 5-N-[2-(2-fluorophenyl)ethyl]quinoline-5,8-diamine.
What is the SMILES notation for 5-N-[2-(2-fluorophenyl)ethyl]quinoline-5,8-diamine?
The canonical SMILES for 5-N-[2-(2-fluorophenyl)ethyl]quinoline-5,8-diamine is Nc1ccc(NCCc2ccccc2F)c2cccnc12.
What is the InChIKey of 5-N-[2-(2-fluorophenyl)ethyl]quinoline-5,8-diamine?
The InChIKey is HZKROYAEVWIOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3/c18-14-6-2-1-4-12(14)9-11-20-16-8-7-15(19)17-13(16)5-3-10-21-17/h1-8,10,20H,9,11,19H2.
What are the key properties of 5-N-[2-(2-fluorophenyl)ethyl]quinoline-5,8-diamine?
5-N-[2-(2-fluorophenyl)ethyl]quinoline-5,8-diamine has a molecular weight of 281.33 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[2-(2-fluorophenyl)ethyl]quinoline-5,8-diamine is sourced from PubChem (CID 43449441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).