2-(2-ethyl-1,2,4-triazol-3-yl)-1-quinolin-5-ylethanone

C15H14N4O — CID 105111478

IUPAC2-(2-ethyl-1,2,4-triazol-3-yl)-1-quinolin-5-ylethanone
SMILESCCn1ncnc1CC(=O)c1cccc2ncccc12
InChIInChI=1S/C15H14N4O/c1-2-19-15(17-10-18-19)9-14(20)12-5-3-7-13-11(12)6-4-8-16-13/h3-8,10H,2,9H2,1H3
InChIKeyZODNQZXHGSXKNX-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.27
Rot. Bonds4

About 2-(2-ethyl-1,2,4-triazol-3-yl)-1-quinolin-5-ylethanone

2-(2-ethyl-1,2,4-triazol-3-yl)-1-quinolin-5-ylethanone (PubChem CID 105111478) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-(2-ethyl-1,2,4-triazol-3-yl)-1-quinolin-5-ylethanone.

Molecular Properties

Compound Name2-(2-ethyl-1,2,4-triazol-3-yl)-1-quinolin-5-ylethanone
PubChem CID105111478
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name2-(2-ethyl-1,2,4-triazol-3-yl)-1-quinolin-5-ylethanone
SMILESCCn1ncnc1CC(=O)c1cccc2ncccc12
InChIInChI=1S/C15H14N4O/c1-2-19-15(17-10-18-19)9-14(20)12-5-3-7-13-11(12)6-4-8-16-13/h3-8,10H,2,9H2,1H3
InChIKeyZODNQZXHGSXKNX-UHFFFAOYSA-N
XLogP2.27
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-ethylimidazol-2-yl)-1-quinolin-5-ylethanone
CID 105115236
2-(2-ethyl-1,2,4-triazol-3-yl)-1-quinolin-5-ylethanol
CID 105109180
2-(2-propyl-1,2,4-triazol-3-yl)-1-quinoxalin-5-ylethanone
CID 105112201
1-(3-bromo-2-chlorophenyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanone
CID 115779262
1-[2-(2-aminoethyl)phenyl]-2-(2-ethyl-1,2,4-triazol-3-yl)ethanone
CID 116577483
1-quinolin-5-ylhexan-1-one
CID 115789824
2-(2-ethyl-1,2,4-triazol-3-yl)-1-(1,2,3,4-tetrahydroquinolin-5-yl)ethanone
CID 116610444
2-(2-methylphenyl)-1-quinolin-5-ylethanone
CID 81220706
1-(3-chloro-4-pyridinyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanone
CID 105111538
2-(4-aminophenyl)-1-quinolin-5-ylethanone
CID 116549569
2-tert-butylsulfanyl-1-quinolin-5-ylethanone
CID 81220116
3-methyl-1-quinolin-5-ylbut-3-en-1-one
CID 105112604

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-1,2,4-triazol-3-yl)-1-quinolin-5-ylethanone?
The IUPAC name of 2-(2-ethyl-1,2,4-triazol-3-yl)-1-quinolin-5-ylethanone (CID 105111478) is 2-(2-ethyl-1,2,4-triazol-3-yl)-1-quinolin-5-ylethanone.
What is the SMILES notation for 2-(2-ethyl-1,2,4-triazol-3-yl)-1-quinolin-5-ylethanone?
The canonical SMILES for 2-(2-ethyl-1,2,4-triazol-3-yl)-1-quinolin-5-ylethanone is CCn1ncnc1CC(=O)c1cccc2ncccc12.
What is the InChIKey of 2-(2-ethyl-1,2,4-triazol-3-yl)-1-quinolin-5-ylethanone?
The InChIKey is ZODNQZXHGSXKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c1-2-19-15(17-10-18-19)9-14(20)12-5-3-7-13-11(12)6-4-8-16-13/h3-8,10H,2,9H2,1H3.
What are the key properties of 2-(2-ethyl-1,2,4-triazol-3-yl)-1-quinolin-5-ylethanone?
2-(2-ethyl-1,2,4-triazol-3-yl)-1-quinolin-5-ylethanone has a molecular weight of 266.30 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-1,2,4-triazol-3-yl)-1-quinolin-5-ylethanone is sourced from PubChem (CID 105111478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).