7-fluoro-8-N-(1-pyrazol-1-ylpropan-2-yl)quinoline-5,8-diamine

C15H16FN5 — CID 83164952

IUPAC7-fluoro-8-N-(1-pyrazol-1-ylpropan-2-yl)quinoline-5,8-diamine
SMILESCC(Cn1cccn1)Nc1c(F)cc(N)c2cccnc12
InChIInChI=1S/C15H16FN5/c1-10(9-21-7-3-6-19-21)20-15-12(16)8-13(17)11-4-2-5-18-14(11)15/h2-8,10,20H,9,17H2,1H3
InChIKeyQJZDMEVAVJYJIS-UHFFFAOYSA-N
MW285.33 g/mol
LogP2.65
Rot. Bonds4

About 7-fluoro-8-N-(1-pyrazol-1-ylpropan-2-yl)quinoline-5,8-diamine

7-fluoro-8-N-(1-pyrazol-1-ylpropan-2-yl)quinoline-5,8-diamine (PubChem CID 83164952) has the molecular formula C15H16FN5 and a molecular weight of 285.33 g/mol. Its IUPAC name is 7-fluoro-8-N-(1-pyrazol-1-ylpropan-2-yl)quinoline-5,8-diamine.

Molecular Properties

Compound Name7-fluoro-8-N-(1-pyrazol-1-ylpropan-2-yl)quinoline-5,8-diamine
PubChem CID83164952
Molecular FormulaC15H16FN5
Molecular Weight285.33 g/mol
Exact Mass285.14
IUPAC Name7-fluoro-8-N-(1-pyrazol-1-ylpropan-2-yl)quinoline-5,8-diamine
SMILESCC(Cn1cccn1)Nc1c(F)cc(N)c2cccnc12
InChIInChI=1S/C15H16FN5/c1-10(9-21-7-3-6-19-21)20-15-12(16)8-13(17)11-4-2-5-18-14(11)15/h2-8,10,20H,9,17H2,1H3
InChIKeyQJZDMEVAVJYJIS-UHFFFAOYSA-N
XLogP2.65
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-8-N-(1-pyrazol-1-ylpropan-2-yl)quinoline-5,8-diamine?
The IUPAC name of 7-fluoro-8-N-(1-pyrazol-1-ylpropan-2-yl)quinoline-5,8-diamine (CID 83164952) is 7-fluoro-8-N-(1-pyrazol-1-ylpropan-2-yl)quinoline-5,8-diamine.
What is the SMILES notation for 7-fluoro-8-N-(1-pyrazol-1-ylpropan-2-yl)quinoline-5,8-diamine?
The canonical SMILES for 7-fluoro-8-N-(1-pyrazol-1-ylpropan-2-yl)quinoline-5,8-diamine is CC(Cn1cccn1)Nc1c(F)cc(N)c2cccnc12.
What is the InChIKey of 7-fluoro-8-N-(1-pyrazol-1-ylpropan-2-yl)quinoline-5,8-diamine?
The InChIKey is QJZDMEVAVJYJIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN5/c1-10(9-21-7-3-6-19-21)20-15-12(16)8-13(17)11-4-2-5-18-14(11)15/h2-8,10,20H,9,17H2,1H3.
What are the key properties of 7-fluoro-8-N-(1-pyrazol-1-ylpropan-2-yl)quinoline-5,8-diamine?
7-fluoro-8-N-(1-pyrazol-1-ylpropan-2-yl)quinoline-5,8-diamine has a molecular weight of 285.33 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-8-N-(1-pyrazol-1-ylpropan-2-yl)quinoline-5,8-diamine is sourced from PubChem (CID 83164952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).