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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Related Compounds

Ethyl 3-methylpyrrolo[1,2-f]phenanthridine-2-carboxylate
CID 13811474
3-Phenyl-6,7-dimethylquinoxaline-2-carboxylic acid ethyl ester
CID 10542694
Methyl 5-methylindolo[3,2-b]quinoline-11-carboxylate
CID 9971458
Methyl 5-cyclopentylquinoline-2-carboxylate
CID 3012201
Dimethyl 8-fluoro-5-phenylpyrazolo[5,1-a]isoquinoline-1,2-dicarboxylate
CID 134837568
Ethyl 2-(benzotriazol-1-ylmethyl)-4-methylquinoline-3-carboxylate
CID 8195327
Dimethyl pyrazolo[1,5-f]phenanthridine-2,3-dicarboxylate
CID 12291414
ethyl 3-phenyl-9H-pyrido[3,4-b]indole-1-carboxylate
CID 14641124
Ethyl 3-aminoquinoline-2-carboxylate
CID 12316475
ethyl 6-{2-[(2R)-4-(7-fluoro-2-methyl-5-quinolinyl)-2-methyl-1-piperazinyl]ethyl}-4,5-dihydro[1,2,3]triazolo[1,5-a]quinoline-3-carboxylate
CID 58064187
Ethyl 6-[2-[4-(7-fluoro-2-methylquinolin-5-yl)-2-methylpiperazin-1-yl]ethyl]-4,5-dihydrotriazolo[1,5-a]quinoline-3-carboxylate
CID 76683081
7-(4-Fluorophenyl)triazolo[1,5-a]pyridine-3-carboxylic acid
CID 89925647

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).