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

C15H16N4O3 — CID 137409060

IUPAC3-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxypropane-1,2-diol
SMILESNc1cc(OCC(O)CO)c2ccc(-c3ccn[nH]3)cc2n1
InChIInChI=1S/C15H16N4O3/c16-15-6-14(22-8-10(21)7-20)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)
InChIKeyBXJBMTREGDXIJS-UHFFFAOYSA-N
MW300.32 g/mol
LogP0.94
Rot. Bonds5

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

3-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxypropane-1,2-diol (PubChem CID 137409060) has the molecular formula C15H16N4O3 and a molecular weight of 300.32 g/mol. Its IUPAC name is 3-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxypropane-1,2-diol.

Molecular Properties

Compound Name3-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxypropane-1,2-diol
PubChem CID137409060
Molecular FormulaC15H16N4O3
Molecular Weight300.32 g/mol
Exact Mass300.12
IUPAC Name3-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxypropane-1,2-diol
SMILESNc1cc(OCC(O)CO)c2ccc(-c3ccn[nH]3)cc2n1
InChIInChI=1S/C15H16N4O3/c16-15-6-14(22-8-10(21)7-20)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)
InChIKeyBXJBMTREGDXIJS-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 3-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxypropane-1,2-diol?
The IUPAC name of 3-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxypropane-1,2-diol (CID 137409060) is 3-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxypropane-1,2-diol.
What is the SMILES notation for 3-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxypropane-1,2-diol?
The canonical SMILES for 3-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxypropane-1,2-diol is Nc1cc(OCC(O)CO)c2ccc(-c3ccn[nH]3)cc2n1.
What is the InChIKey of 3-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxypropane-1,2-diol?
The InChIKey is BXJBMTREGDXIJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3/c16-15-6-14(22-8-10(21)7-20)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 3-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxypropane-1,2-diol?
3-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxypropane-1,2-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 3-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxypropane-1,2-diol is sourced from PubChem (CID 137409060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).