3-[[2-amino-6-fluoro-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]propan-1-ol

C15H16FN5O — CID 137409143

IUPAC3-[[2-amino-6-fluoro-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]propan-1-ol
SMILESNc1cc(NCCCO)c2cc(F)c(-c3ccn[nH]3)cc2n1
InChIInChI=1S/C15H16FN5O/c16-11-6-10-13(18-3-1-5-22)8-15(17)20-14(10)7-9(11)12-2-4-19-21-12/h2,4,6-8,22H,1,3,5H2,(H,19,21)(H3,17,18,20)
InChIKeyQDLZQRKMXQYYFT-UHFFFAOYSA-N
MW301.33 g/mol
LogP2.14
Rot. Bonds5

About 3-[[2-amino-6-fluoro-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]propan-1-ol

3-[[2-amino-6-fluoro-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]propan-1-ol (PubChem CID 137409143) has the molecular formula C15H16FN5O and a molecular weight of 301.33 g/mol. Its IUPAC name is 3-[[2-amino-6-fluoro-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[[2-amino-6-fluoro-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]propan-1-ol
PubChem CID137409143
Molecular FormulaC15H16FN5O
Molecular Weight301.33 g/mol
Exact Mass301.13
IUPAC Name3-[[2-amino-6-fluoro-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]propan-1-ol
SMILESNc1cc(NCCCO)c2cc(F)c(-c3ccn[nH]3)cc2n1
InChIInChI=1S/C15H16FN5O/c16-11-6-10-13(18-3-1-5-22)8-15(17)20-14(10)7-9(11)12-2-4-19-21-12/h2,4,6-8,22H,1,3,5H2,(H,19,21)(H3,17,18,20)
InChIKeyQDLZQRKMXQYYFT-UHFFFAOYSA-N
XLogP2.14
TPSA99.85 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.33
LogP ≤ 52.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-amino-6-fluoro-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]propan-1-ol?
The IUPAC name of 3-[[2-amino-6-fluoro-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]propan-1-ol (CID 137409143) is 3-[[2-amino-6-fluoro-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]propan-1-ol.
What is the SMILES notation for 3-[[2-amino-6-fluoro-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]propan-1-ol?
The canonical SMILES for 3-[[2-amino-6-fluoro-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]propan-1-ol is Nc1cc(NCCCO)c2cc(F)c(-c3ccn[nH]3)cc2n1.
What is the InChIKey of 3-[[2-amino-6-fluoro-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]propan-1-ol?
The InChIKey is QDLZQRKMXQYYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN5O/c16-11-6-10-13(18-3-1-5-22)8-15(17)20-14(10)7-9(11)12-2-4-19-21-12/h2,4,6-8,22H,1,3,5H2,(H,19,21)(H3,17,18,20).
What are the key properties of 3-[[2-amino-6-fluoro-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]propan-1-ol?
3-[[2-amino-6-fluoro-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]propan-1-ol has a molecular weight of 301.33 g/mol, XLogP of 2.14, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-amino-6-fluoro-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]propan-1-ol is sourced from PubChem (CID 137409143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).