quinolin-8-ylmethyl 2-(3-amino-1,2,4-triazol-1-yl)acetate

C14H13N5O2 — CID 61316649

IUPACquinolin-8-ylmethyl 2-(3-amino-1,2,4-triazol-1-yl)acetate
SMILESNc1ncn(CC(=O)OCc2cccc3cccnc23)n1
InChIInChI=1S/C14H13N5O2/c15-14-17-9-19(18-14)7-12(20)21-8-11-4-1-3-10-5-2-6-16-13(10)11/h1-6,9H,7-8H2,(H2,15,18)
InChIKeyNUCUQTUBASICBO-UHFFFAOYSA-N
MW283.29 g/mol
LogP1.15
Rot. Bonds4

About quinolin-8-ylmethyl 2-(3-amino-1,2,4-triazol-1-yl)acetate

quinolin-8-ylmethyl 2-(3-amino-1,2,4-triazol-1-yl)acetate (PubChem CID 61316649) has the molecular formula C14H13N5O2 and a molecular weight of 283.29 g/mol. Its IUPAC name is quinolin-8-ylmethyl 2-(3-amino-1,2,4-triazol-1-yl)acetate.

Molecular Properties

Compound Namequinolin-8-ylmethyl 2-(3-amino-1,2,4-triazol-1-yl)acetate
PubChem CID61316649
Molecular FormulaC14H13N5O2
Molecular Weight283.29 g/mol
Exact Mass283.11
IUPAC Namequinolin-8-ylmethyl 2-(3-amino-1,2,4-triazol-1-yl)acetate
SMILESNc1ncn(CC(=O)OCc2cccc3cccnc23)n1
InChIInChI=1S/C14H13N5O2/c15-14-17-9-19(18-14)7-12(20)21-8-11-4-1-3-10-5-2-6-16-13(10)11/h1-6,9H,7-8H2,(H2,15,18)
InChIKeyNUCUQTUBASICBO-UHFFFAOYSA-N
XLogP1.15
TPSA95.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of quinolin-8-ylmethyl 2-(3-amino-1,2,4-triazol-1-yl)acetate?
The IUPAC name of quinolin-8-ylmethyl 2-(3-amino-1,2,4-triazol-1-yl)acetate (CID 61316649) is quinolin-8-ylmethyl 2-(3-amino-1,2,4-triazol-1-yl)acetate.
What is the SMILES notation for quinolin-8-ylmethyl 2-(3-amino-1,2,4-triazol-1-yl)acetate?
The canonical SMILES for quinolin-8-ylmethyl 2-(3-amino-1,2,4-triazol-1-yl)acetate is Nc1ncn(CC(=O)OCc2cccc3cccnc23)n1.
What is the InChIKey of quinolin-8-ylmethyl 2-(3-amino-1,2,4-triazol-1-yl)acetate?
The InChIKey is NUCUQTUBASICBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O2/c15-14-17-9-19(18-14)7-12(20)21-8-11-4-1-3-10-5-2-6-16-13(10)11/h1-6,9H,7-8H2,(H2,15,18).
What are the key properties of quinolin-8-ylmethyl 2-(3-amino-1,2,4-triazol-1-yl)acetate?
quinolin-8-ylmethyl 2-(3-amino-1,2,4-triazol-1-yl)acetate has a molecular weight of 283.29 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for quinolin-8-ylmethyl 2-(3-amino-1,2,4-triazol-1-yl)acetate is sourced from PubChem (CID 61316649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).