quinolin-6-ylmethyl 2-(3-aminopyrazol-1-yl)acetate

C15H14N4O2 — CID 62113411

IUPACquinolin-6-ylmethyl 2-(3-aminopyrazol-1-yl)acetate
SMILESNc1ccn(CC(=O)OCc2ccc3ncccc3c2)n1
InChIInChI=1S/C15H14N4O2/c16-14-5-7-19(18-14)9-15(20)21-10-11-3-4-13-12(8-11)2-1-6-17-13/h1-8H,9-10H2,(H2,16,18)
InChIKeyOHPOGBCJUBODKU-UHFFFAOYSA-N
MW282.30 g/mol
LogP1.76
Rot. Bonds4

About quinolin-6-ylmethyl 2-(3-aminopyrazol-1-yl)acetate

quinolin-6-ylmethyl 2-(3-aminopyrazol-1-yl)acetate (PubChem CID 62113411) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is quinolin-6-ylmethyl 2-(3-aminopyrazol-1-yl)acetate.

Molecular Properties

Compound Namequinolin-6-ylmethyl 2-(3-aminopyrazol-1-yl)acetate
PubChem CID62113411
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Namequinolin-6-ylmethyl 2-(3-aminopyrazol-1-yl)acetate
SMILESNc1ccn(CC(=O)OCc2ccc3ncccc3c2)n1
InChIInChI=1S/C15H14N4O2/c16-14-5-7-19(18-14)9-15(20)21-10-11-3-4-13-12(8-11)2-1-6-17-13/h1-8H,9-10H2,(H2,16,18)
InChIKeyOHPOGBCJUBODKU-UHFFFAOYSA-N
XLogP1.76
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of quinolin-6-ylmethyl 2-(3-aminopyrazol-1-yl)acetate?
The IUPAC name of quinolin-6-ylmethyl 2-(3-aminopyrazol-1-yl)acetate (CID 62113411) is quinolin-6-ylmethyl 2-(3-aminopyrazol-1-yl)acetate.
What is the SMILES notation for quinolin-6-ylmethyl 2-(3-aminopyrazol-1-yl)acetate?
The canonical SMILES for quinolin-6-ylmethyl 2-(3-aminopyrazol-1-yl)acetate is Nc1ccn(CC(=O)OCc2ccc3ncccc3c2)n1.
What is the InChIKey of quinolin-6-ylmethyl 2-(3-aminopyrazol-1-yl)acetate?
The InChIKey is OHPOGBCJUBODKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c16-14-5-7-19(18-14)9-15(20)21-10-11-3-4-13-12(8-11)2-1-6-17-13/h1-8H,9-10H2,(H2,16,18).
What are the key properties of quinolin-6-ylmethyl 2-(3-aminopyrazol-1-yl)acetate?
quinolin-6-ylmethyl 2-(3-aminopyrazol-1-yl)acetate has a molecular weight of 282.30 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for quinolin-6-ylmethyl 2-(3-aminopyrazol-1-yl)acetate is sourced from PubChem (CID 62113411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).