2-(5-ethyl-2-pyridinyl)-1-quinolin-2-ylethanone

C18H16N2O — CID 79732159

IUPAC2-(5-ethyl-2-pyridinyl)-1-quinolin-2-ylethanone
SMILESCCc1ccc(CC(=O)c2ccc3ccccc3n2)nc1
InChIInChI=1S/C18H16N2O/c1-2-13-7-9-15(19-12-13)11-18(21)17-10-8-14-5-3-4-6-16(14)20-17/h3-10,12H,2,11H2,1H3
InChIKeyLKVCEMPICSHUGL-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.62
Rot. Bonds4

About 2-(5-ethyl-2-pyridinyl)-1-quinolin-2-ylethanone

2-(5-ethyl-2-pyridinyl)-1-quinolin-2-ylethanone (PubChem CID 79732159) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-(5-ethyl-2-pyridinyl)-1-quinolin-2-ylethanone.

Molecular Properties

Compound Name2-(5-ethyl-2-pyridinyl)-1-quinolin-2-ylethanone
PubChem CID79732159
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC Name2-(5-ethyl-2-pyridinyl)-1-quinolin-2-ylethanone
SMILESCCc1ccc(CC(=O)c2ccc3ccccc3n2)nc1
InChIInChI=1S/C18H16N2O/c1-2-13-7-9-15(19-12-13)11-18(21)17-10-8-14-5-3-4-6-16(14)20-17/h3-10,12H,2,11H2,1H3
InChIKeyLKVCEMPICSHUGL-UHFFFAOYSA-N
XLogP3.62
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethylphenyl)-1-quinolin-2-ylethanone
CID 63409967
2-(5-bromo-2-pyridinyl)-1-quinolin-2-ylethanone
CID 104798887
1,2-di(quinolin-2-yl)ethanone
CID 24973307
2-(5-ethylthiophen-2-yl)-1-quinolin-2-ylethanone
CID 63222293
2-(4-chlorophenyl)-1-quinolin-2-ylethanone
CID 63222375
2-(5-ethyl-2-pyridinyl)-1-(2-fluorophenyl)ethanone
CID 79746106
1-quinolin-2-ylbutan-1-one
CID 14895778
2-(5-ethyl-2-pyridinyl)-1-(4-methyl-2-pyridinyl)ethanone
CID 79746269
1-(5-ethyl-2-pyridinyl)-3-hydroxybutan-2-one
CID 103451397
2-(3,5-difluorophenyl)-1-quinolin-2-ylethanone
CID 105405253
2-amino-1-quinolin-2-ylethanone
CID 23532024
1-(5-ethyl-2-pyridinyl)-3,3-dimethylbutan-2-one
CID 79745157

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-2-pyridinyl)-1-quinolin-2-ylethanone?
The IUPAC name of 2-(5-ethyl-2-pyridinyl)-1-quinolin-2-ylethanone (CID 79732159) is 2-(5-ethyl-2-pyridinyl)-1-quinolin-2-ylethanone.
What is the SMILES notation for 2-(5-ethyl-2-pyridinyl)-1-quinolin-2-ylethanone?
The canonical SMILES for 2-(5-ethyl-2-pyridinyl)-1-quinolin-2-ylethanone is CCc1ccc(CC(=O)c2ccc3ccccc3n2)nc1.
What is the InChIKey of 2-(5-ethyl-2-pyridinyl)-1-quinolin-2-ylethanone?
The InChIKey is LKVCEMPICSHUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O/c1-2-13-7-9-15(19-12-13)11-18(21)17-10-8-14-5-3-4-6-16(14)20-17/h3-10,12H,2,11H2,1H3.
What are the key properties of 2-(5-ethyl-2-pyridinyl)-1-quinolin-2-ylethanone?
2-(5-ethyl-2-pyridinyl)-1-quinolin-2-ylethanone has a molecular weight of 276.34 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-2-pyridinyl)-1-quinolin-2-ylethanone is sourced from PubChem (CID 79732159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).