2-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxyethanol

C14H14N4O2 — CID 137408996

IUPAC2-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxyethanol
SMILESNc1cc(OCCO)c2ccc(-c3ccn[nH]3)cc2n1
InChIInChI=1S/C14H14N4O2/c15-14-8-13(20-6-5-19)10-2-1-9(7-12(10)17-14)11-3-4-16-18-11/h1-4,7-8,19H,5-6H2,(H2,15,17)(H,16,18)
InChIKeyJIQDUYXQLXAUQN-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.58
Rot. Bonds4

About 2-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxyethanol

2-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxyethanol (PubChem CID 137408996) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is 2-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxyethanol.

Molecular Properties

Compound Name2-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxyethanol
PubChem CID137408996
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC Name2-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxyethanol
SMILESNc1cc(OCCO)c2ccc(-c3ccn[nH]3)cc2n1
InChIInChI=1S/C14H14N4O2/c15-14-8-13(20-6-5-19)10-2-1-9(7-12(10)17-14)11-3-4-16-18-11/h1-4,7-8,19H,5-6H2,(H2,15,17)(H,16,18)
InChIKeyJIQDUYXQLXAUQN-UHFFFAOYSA-N
XLogP1.58
TPSA97.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxyethanol?
The IUPAC name of 2-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxyethanol (CID 137408996) is 2-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxyethanol.
What is the SMILES notation for 2-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxyethanol?
The canonical SMILES for 2-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxyethanol is Nc1cc(OCCO)c2ccc(-c3ccn[nH]3)cc2n1.
What is the InChIKey of 2-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxyethanol?
The InChIKey is JIQDUYXQLXAUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c15-14-8-13(20-6-5-19)10-2-1-9(7-12(10)17-14)11-3-4-16-18-11/h1-4,7-8,19H,5-6H2,(H2,15,17)(H,16,18).
What are the key properties of 2-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxyethanol?
2-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxyethanol has a molecular weight of 270.29 g/mol, XLogP of 1.58, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxyethanol is sourced from PubChem (CID 137408996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).