quinolin-2-ylmethyl 2-(4-aminopyrazol-1-yl)acetate

C15H14N4O2 — CID 61314842

IUPACquinolin-2-ylmethyl 2-(4-aminopyrazol-1-yl)acetate
SMILESNc1cnn(CC(=O)OCc2ccc3ccccc3n2)c1
InChIInChI=1S/C15H14N4O2/c16-12-7-17-19(8-12)9-15(20)21-10-13-6-5-11-3-1-2-4-14(11)18-13/h1-8H,9-10,16H2
InChIKeyJRJSOBKMRPFDBR-UHFFFAOYSA-N
MW282.30 g/mol
LogP1.76
Rot. Bonds4

About quinolin-2-ylmethyl 2-(4-aminopyrazol-1-yl)acetate

quinolin-2-ylmethyl 2-(4-aminopyrazol-1-yl)acetate (PubChem CID 61314842) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is quinolin-2-ylmethyl 2-(4-aminopyrazol-1-yl)acetate.

Molecular Properties

Compound Namequinolin-2-ylmethyl 2-(4-aminopyrazol-1-yl)acetate
PubChem CID61314842
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Namequinolin-2-ylmethyl 2-(4-aminopyrazol-1-yl)acetate
SMILESNc1cnn(CC(=O)OCc2ccc3ccccc3n2)c1
InChIInChI=1S/C15H14N4O2/c16-12-7-17-19(8-12)9-15(20)21-10-13-6-5-11-3-1-2-4-14(11)18-13/h1-8H,9-10,16H2
InChIKeyJRJSOBKMRPFDBR-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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Related Compounds

2-[2-[[2-(4-aminopyrazol-1-yl)acetyl]oxymethyl]phenyl]acetic acid
CID 115463289
2-phenylsulfanylethyl 2-(4-aminopyrazol-1-yl)acetate
CID 79228564
imidazo[2,1-b][1,3]thiazol-6-ylmethyl 2-(4-aminopyrazol-1-yl)acetate
CID 115334070
1-phenylethyl 2-(4-aminopyrazol-1-yl)acetate
CID 61285964
(2,4,6-trimethylphenyl)methyl 2-(4-aminopyrazol-1-yl)acetate
CID 62548645
(5-bromothiophen-2-yl)methyl 2-(4-aminopyrazol-1-yl)acetate
CID 61317134
2-methylsulfonylethyl 2-(4-aminopyrazol-1-yl)acetate
CID 61315217
2-(4-aminopyrazol-1-yl)-N-naphthalen-2-ylacetamide
CID 61118519
(5-fluoro-3-pyridinyl)methyl 2-(4-aminopyrazol-1-yl)acetate
CID 114084635
(2-bromo-5-methoxyphenyl)methyl 2-(4-aminopyrazol-1-yl)acetate
CID 65326849
nonyl 2-(4-aminopyrazol-1-yl)acetate
CID 61315598
benzyl 2-(4-methylpyrazol-1-yl)acetate
CID 121256178

Frequently Asked Questions

What is the IUPAC name of quinolin-2-ylmethyl 2-(4-aminopyrazol-1-yl)acetate?
The IUPAC name of quinolin-2-ylmethyl 2-(4-aminopyrazol-1-yl)acetate (CID 61314842) is quinolin-2-ylmethyl 2-(4-aminopyrazol-1-yl)acetate.
What is the SMILES notation for quinolin-2-ylmethyl 2-(4-aminopyrazol-1-yl)acetate?
The canonical SMILES for quinolin-2-ylmethyl 2-(4-aminopyrazol-1-yl)acetate is Nc1cnn(CC(=O)OCc2ccc3ccccc3n2)c1.
What is the InChIKey of quinolin-2-ylmethyl 2-(4-aminopyrazol-1-yl)acetate?
The InChIKey is JRJSOBKMRPFDBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c16-12-7-17-19(8-12)9-15(20)21-10-13-6-5-11-3-1-2-4-14(11)18-13/h1-8H,9-10,16H2.
What are the key properties of quinolin-2-ylmethyl 2-(4-aminopyrazol-1-yl)acetate?
quinolin-2-ylmethyl 2-(4-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-2-ylmethyl 2-(4-aminopyrazol-1-yl)acetate is sourced from PubChem (CID 61314842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).