4-N-[2-(3-fluorophenyl)ethyl]quinoline-4,7-diamine

C17H16FN3 — CID 103000463

IUPAC4-N-[2-(3-fluorophenyl)ethyl]quinoline-4,7-diamine
SMILESNc1ccc2c(NCCc3cccc(F)c3)ccnc2c1
InChIInChI=1S/C17H16FN3/c18-13-3-1-2-12(10-13)6-8-20-16-7-9-21-17-11-14(19)4-5-15(16)17/h1-5,7,9-11H,6,8,19H2,(H,20,21)
InChIKeyJYFULIHZRGLLLR-UHFFFAOYSA-N
MW281.33 g/mol
LogP3.61
Rot. Bonds4

About 4-N-[2-(3-fluorophenyl)ethyl]quinoline-4,7-diamine

4-N-[2-(3-fluorophenyl)ethyl]quinoline-4,7-diamine (PubChem CID 103000463) has the molecular formula C17H16FN3 and a molecular weight of 281.33 g/mol. Its IUPAC name is 4-N-[2-(3-fluorophenyl)ethyl]quinoline-4,7-diamine.

Molecular Properties

Compound Name4-N-[2-(3-fluorophenyl)ethyl]quinoline-4,7-diamine
PubChem CID103000463
Molecular FormulaC17H16FN3
Molecular Weight281.33 g/mol
Exact Mass281.13
IUPAC Name4-N-[2-(3-fluorophenyl)ethyl]quinoline-4,7-diamine
SMILESNc1ccc2c(NCCc3cccc(F)c3)ccnc2c1
InChIInChI=1S/C17H16FN3/c18-13-3-1-2-12(10-13)6-8-20-16-7-9-21-17-11-14(19)4-5-15(16)17/h1-5,7,9-11H,6,8,19H2,(H,20,21)
InChIKeyJYFULIHZRGLLLR-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

4-N-[2-(3-methylphenyl)ethyl]quinoline-4,7-diamine
CID 103001025
4-N-[2-(2-fluorophenyl)ethyl]quinoline-4,7-diamine
CID 103000150
4-N-[2-(3-fluorophenyl)ethyl]quinazoline-4,6-diamine
CID 64590268
4-N-[2-(1,3-thiazol-4-yl)ethyl]quinoline-4,7-diamine
CID 103001214
4-N-but-3-enylquinoline-4,7-diamine
CID 103001772
4-N-[2-[ethyl(methyl)amino]ethyl]quinoline-4,7-diamine
CID 103001063
N-(2-cyclopropylethyl)-7-fluoroquinolin-4-amine
CID 133324339
4-N-(2-cyclohexylethyl)quinoline-4,7-diamine
CID 103000540
4-N-(3-butoxypropyl)quinoline-4,7-diamine
CID 103001799
N-[2-(3-fluorophenyl)ethyl]pyridin-2-amine
CID 43400460
N-[2-[3-amino-5-[2-[(7-chloroquinolin-4-yl)amino]ethyl]phenyl]ethyl]-7-methylquinolin-4-amine
CID 58223366
4-N-[3-[methyl(propan-2-yl)amino]propyl]quinoline-4,7-diamine
CID 106036752

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(3-fluorophenyl)ethyl]quinoline-4,7-diamine?
The IUPAC name of 4-N-[2-(3-fluorophenyl)ethyl]quinoline-4,7-diamine (CID 103000463) is 4-N-[2-(3-fluorophenyl)ethyl]quinoline-4,7-diamine.
What is the SMILES notation for 4-N-[2-(3-fluorophenyl)ethyl]quinoline-4,7-diamine?
The canonical SMILES for 4-N-[2-(3-fluorophenyl)ethyl]quinoline-4,7-diamine is Nc1ccc2c(NCCc3cccc(F)c3)ccnc2c1.
What is the InChIKey of 4-N-[2-(3-fluorophenyl)ethyl]quinoline-4,7-diamine?
The InChIKey is JYFULIHZRGLLLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3/c18-13-3-1-2-12(10-13)6-8-20-16-7-9-21-17-11-14(19)4-5-15(16)17/h1-5,7,9-11H,6,8,19H2,(H,20,21).
What are the key properties of 4-N-[2-(3-fluorophenyl)ethyl]quinoline-4,7-diamine?
4-N-[2-(3-fluorophenyl)ethyl]quinoline-4,7-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 4-N-[2-(3-fluorophenyl)ethyl]quinoline-4,7-diamine is sourced from PubChem (CID 103000463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).