8-fluoro-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]quinolin-4-amine

C15H15FN4 — CID 99793009

IUPAC8-fluoro-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]quinolin-4-amine
SMILESC[C@H](Cn1cccn1)Nc1ccnc2c(F)cccc12
InChIInChI=1S/C15H15FN4/c1-11(10-20-9-3-7-18-20)19-14-6-8-17-15-12(14)4-2-5-13(15)16/h2-9,11H,10H2,1H3,(H,17,19)/t11-/m1/s1
InChIKeyZKPQWMFKVVTTEP-LLVKDONJSA-N
MW270.31 g/mol
LogP3.07
Rot. Bonds4

About 8-fluoro-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]quinolin-4-amine

8-fluoro-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]quinolin-4-amine (PubChem CID 99793009) has the molecular formula C15H15FN4 and a molecular weight of 270.31 g/mol. Its IUPAC name is 8-fluoro-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]quinolin-4-amine.

Molecular Properties

Compound Name8-fluoro-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]quinolin-4-amine
PubChem CID99793009
Molecular FormulaC15H15FN4
Molecular Weight270.31 g/mol
Exact Mass270.13
IUPAC Name8-fluoro-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]quinolin-4-amine
SMILESC[C@H](Cn1cccn1)Nc1ccnc2c(F)cccc12
InChIInChI=1S/C15H15FN4/c1-11(10-20-9-3-7-18-20)19-14-6-8-17-15-12(14)4-2-5-13(15)16/h2-9,11H,10H2,1H3,(H,17,19)/t11-/m1/s1
InChIKeyZKPQWMFKVVTTEP-LLVKDONJSA-N
XLogP3.07
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]quinolin-4-amine?
The IUPAC name of 8-fluoro-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]quinolin-4-amine (CID 99793009) is 8-fluoro-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]quinolin-4-amine.
What is the SMILES notation for 8-fluoro-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]quinolin-4-amine?
The canonical SMILES for 8-fluoro-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]quinolin-4-amine is C[C@H](Cn1cccn1)Nc1ccnc2c(F)cccc12.
What is the InChIKey of 8-fluoro-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]quinolin-4-amine?
The InChIKey is ZKPQWMFKVVTTEP-LLVKDONJSA-N. The full InChI is InChI=1S/C15H15FN4/c1-11(10-20-9-3-7-18-20)19-14-6-8-17-15-12(14)4-2-5-13(15)16/h2-9,11H,10H2,1H3,(H,17,19)/t11-/m1/s1.
What are the key properties of 8-fluoro-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]quinolin-4-amine?
8-fluoro-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]quinolin-4-amine has a molecular weight of 270.31 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]quinolin-4-amine is sourced from PubChem (CID 99793009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).