3-(6-fluoro-2,3-dihydro-1H-inden-1-yl)quinoline-2,6-diamine

C18H16FN3 — CID 68640329

IUPAC3-(6-fluoro-2,3-dihydro-1H-inden-1-yl)quinoline-2,6-diamine
SMILESNc1ccc2nc(N)c(C3CCc4ccc(F)cc43)cc2c1
InChIInChI=1S/C18H16FN3/c19-12-3-1-10-2-5-14(15(10)9-12)16-8-11-7-13(20)4-6-17(11)22-18(16)21/h1,3-4,6-9,14H,2,5,20H2,(H2,21,22)
InChIKeyZVHLIWMCMALHBH-UHFFFAOYSA-N
MW293.35 g/mol
LogP3.62
Rot. Bonds1

About 3-(6-fluoro-2,3-dihydro-1H-inden-1-yl)quinoline-2,6-diamine

3-(6-fluoro-2,3-dihydro-1H-inden-1-yl)quinoline-2,6-diamine (PubChem CID 68640329) has the molecular formula C18H16FN3 and a molecular weight of 293.35 g/mol. Its IUPAC name is 3-(6-fluoro-2,3-dihydro-1H-inden-1-yl)quinoline-2,6-diamine.

Molecular Properties

Compound Name3-(6-fluoro-2,3-dihydro-1H-inden-1-yl)quinoline-2,6-diamine
PubChem CID68640329
Molecular FormulaC18H16FN3
Molecular Weight293.35 g/mol
Exact Mass293.13
IUPAC Name3-(6-fluoro-2,3-dihydro-1H-inden-1-yl)quinoline-2,6-diamine
SMILESNc1ccc2nc(N)c(C3CCc4ccc(F)cc43)cc2c1
InChIInChI=1S/C18H16FN3/c19-12-3-1-10-2-5-14(15(10)9-12)16-8-11-7-13(20)4-6-17(11)22-18(16)21/h1,3-4,6-9,14H,2,5,20H2,(H2,21,22)
InChIKeyZVHLIWMCMALHBH-UHFFFAOYSA-N
XLogP3.62
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(6-fluoro-2,3-dihydro-1H-inden-1-yl)quinoline-2,6-diamine?
The IUPAC name of 3-(6-fluoro-2,3-dihydro-1H-inden-1-yl)quinoline-2,6-diamine (CID 68640329) is 3-(6-fluoro-2,3-dihydro-1H-inden-1-yl)quinoline-2,6-diamine.
What is the SMILES notation for 3-(6-fluoro-2,3-dihydro-1H-inden-1-yl)quinoline-2,6-diamine?
The canonical SMILES for 3-(6-fluoro-2,3-dihydro-1H-inden-1-yl)quinoline-2,6-diamine is Nc1ccc2nc(N)c(C3CCc4ccc(F)cc43)cc2c1.
What is the InChIKey of 3-(6-fluoro-2,3-dihydro-1H-inden-1-yl)quinoline-2,6-diamine?
The InChIKey is ZVHLIWMCMALHBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3/c19-12-3-1-10-2-5-14(15(10)9-12)16-8-11-7-13(20)4-6-17(11)22-18(16)21/h1,3-4,6-9,14H,2,5,20H2,(H2,21,22).
What are the key properties of 3-(6-fluoro-2,3-dihydro-1H-inden-1-yl)quinoline-2,6-diamine?
3-(6-fluoro-2,3-dihydro-1H-inden-1-yl)quinoline-2,6-diamine has a molecular weight of 293.35 g/mol, XLogP of 3.62, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-fluoro-2,3-dihydro-1H-inden-1-yl)quinoline-2,6-diamine is sourced from PubChem (CID 68640329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).