ethyl 6-prop-2-enyltriazolo[1,5-a]quinoline-3-carboxylate

C16H15N3O2 — CID 58064189

IUPACethyl 6-prop-2-enyltriazolo[1,5-a]quinoline-3-carboxylate
SMILESC=CCc1cccc2c1ccc1c(C(=O)OCC)nnn12
InChIInChI=1S/C16H15N3O2/c1-3-6-11-7-5-8-13-12(11)9-10-14-15(16(20)21-4-2)17-18-19(13)14/h3,5,7-10H,1,4,6H2,2H3
InChIKeyCKUXXWSNOIHEOG-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.79
Rot. Bonds4

About ethyl 6-prop-2-enyltriazolo[1,5-a]quinoline-3-carboxylate

ethyl 6-prop-2-enyltriazolo[1,5-a]quinoline-3-carboxylate (PubChem CID 58064189) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is ethyl 6-prop-2-enyltriazolo[1,5-a]quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-prop-2-enyltriazolo[1,5-a]quinoline-3-carboxylate
PubChem CID58064189
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC Nameethyl 6-prop-2-enyltriazolo[1,5-a]quinoline-3-carboxylate
SMILESC=CCc1cccc2c1ccc1c(C(=O)OCC)nnn12
InChIInChI=1S/C16H15N3O2/c1-3-6-11-7-5-8-13-12(11)9-10-14-15(16(20)21-4-2)17-18-19(13)14/h3,5,7-10H,1,4,6H2,2H3
InChIKeyCKUXXWSNOIHEOG-UHFFFAOYSA-N
XLogP2.79
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-prop-2-enyltriazolo[1,5-a]quinoline-3-carboxylate?
The IUPAC name of ethyl 6-prop-2-enyltriazolo[1,5-a]quinoline-3-carboxylate (CID 58064189) is ethyl 6-prop-2-enyltriazolo[1,5-a]quinoline-3-carboxylate.
What is the SMILES notation for ethyl 6-prop-2-enyltriazolo[1,5-a]quinoline-3-carboxylate?
The canonical SMILES for ethyl 6-prop-2-enyltriazolo[1,5-a]quinoline-3-carboxylate is C=CCc1cccc2c1ccc1c(C(=O)OCC)nnn12.
What is the InChIKey of ethyl 6-prop-2-enyltriazolo[1,5-a]quinoline-3-carboxylate?
The InChIKey is CKUXXWSNOIHEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-3-6-11-7-5-8-13-12(11)9-10-14-15(16(20)21-4-2)17-18-19(13)14/h3,5,7-10H,1,4,6H2,2H3.
What are the key properties of ethyl 6-prop-2-enyltriazolo[1,5-a]quinoline-3-carboxylate?
ethyl 6-prop-2-enyltriazolo[1,5-a]quinoline-3-carboxylate has a molecular weight of 281.32 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-prop-2-enyltriazolo[1,5-a]quinoline-3-carboxylate is sourced from PubChem (CID 58064189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).