2-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxypropane-1,3-diol

C15H16N4O3 — CID 137409043

IUPAC2-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxypropane-1,3-diol
SMILESNc1cc(OC(CO)CO)c2ccc(-c3ccn[nH]3)cc2n1
InChIInChI=1S/C15H16N4O3/c16-15-6-14(22-10(7-20)8-21)11-2-1-9(5-13(11)18-15)12-3-4-17-19-12/h1-6,10,20-21H,7-8H2,(H2,16,18)(H,17,19)
InChIKeyMUPFHFLRJUBEBF-UHFFFAOYSA-N
MW300.32 g/mol
LogP0.94
Rot. Bonds5

About 2-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxypropane-1,3-diol

2-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxypropane-1,3-diol (PubChem CID 137409043) has the molecular formula C15H16N4O3 and a molecular weight of 300.32 g/mol. Its IUPAC name is 2-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxypropane-1,3-diol.

Molecular Properties

Compound Name2-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxypropane-1,3-diol
PubChem CID137409043
Molecular FormulaC15H16N4O3
Molecular Weight300.32 g/mol
Exact Mass300.12
IUPAC Name2-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxypropane-1,3-diol
SMILESNc1cc(OC(CO)CO)c2ccc(-c3ccn[nH]3)cc2n1
InChIInChI=1S/C15H16N4O3/c16-15-6-14(22-10(7-20)8-21)11-2-1-9(5-13(11)18-15)12-3-4-17-19-12/h1-6,10,20-21H,7-8H2,(H2,16,18)(H,17,19)
InChIKeyMUPFHFLRJUBEBF-UHFFFAOYSA-N
XLogP0.94
TPSA117.28 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 50.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxypropane-1,3-diol?
The IUPAC name of 2-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxypropane-1,3-diol (CID 137409043) is 2-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxypropane-1,3-diol.
What is the SMILES notation for 2-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxypropane-1,3-diol?
The canonical SMILES for 2-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxypropane-1,3-diol is Nc1cc(OC(CO)CO)c2ccc(-c3ccn[nH]3)cc2n1.
What is the InChIKey of 2-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxypropane-1,3-diol?
The InChIKey is MUPFHFLRJUBEBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3/c16-15-6-14(22-10(7-20)8-21)11-2-1-9(5-13(11)18-15)12-3-4-17-19-12/h1-6,10,20-21H,7-8H2,(H2,16,18)(H,17,19).
What are the key properties of 2-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxypropane-1,3-diol?
2-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxypropane-1,3-diol has a molecular weight of 300.32 g/mol, XLogP of 0.94, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxypropane-1,3-diol is sourced from PubChem (CID 137409043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).