1-pyridin-2-ylethanone;quinoline

C16H14N2O — CID 175538468

IUPAC1-pyridin-2-ylethanone;quinoline
SMILESCC(=O)c1ccccn1.c1ccc2ncccc2c1
InChIInChI=1S/C9H7N.C7H7NO/c1-2-6-9-8(4-1)5-3-7-10-9;1-6(9)7-4-2-3-5-8-7/h1-7H;2-5H,1H3
InChIKeyQQCWFGDHHKTGII-UHFFFAOYSA-N
MW250.30 g/mol
LogP3.52
Rot. Bonds1

About 1-pyridin-2-ylethanone;quinoline

1-pyridin-2-ylethanone;quinoline (PubChem CID 175538468) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is 1-pyridin-2-ylethanone;quinoline.

Molecular Properties

Compound Name1-pyridin-2-ylethanone;quinoline
PubChem CID175538468
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC Name1-pyridin-2-ylethanone;quinoline
SMILESCC(=O)c1ccccn1.c1ccc2ncccc2c1
InChIInChI=1S/C9H7N.C7H7NO/c1-2-6-9-8(4-1)5-3-7-10-9;1-6(9)7-4-2-3-5-8-7/h1-7H;2-5H,1H3
InChIKeyQQCWFGDHHKTGII-UHFFFAOYSA-N
XLogP3.52
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

acetic acid;quinoline
CID 67159702
propan-2-one;1-pyridin-2-ylethanone
CID 158043833
1-pyridin-2-ylethanone;dihydrochloride
CID 174550471
molecular iodine;1-pyridin-2-ylethanone
CID 169427217
ethane;methanol;quinoline
CID 90686502
bicyclo[2.2.0]hexa-1,3,5-triene;1-pyridin-2-ylethanone
CID 22757609
carbonic acid;quinoline
CID 23206844
quinoline
CID 76974643
CID 174778702
CID 174778702
quinoline;tetramethylsilane
CID 91292784
osmium(2+);quinoline
CID 158407120
quinoline;silver
CID 88761492

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-2-ylethanone;quinoline?
The IUPAC name of 1-pyridin-2-ylethanone;quinoline (CID 175538468) is 1-pyridin-2-ylethanone;quinoline.
What is the SMILES notation for 1-pyridin-2-ylethanone;quinoline?
The canonical SMILES for 1-pyridin-2-ylethanone;quinoline is CC(=O)c1ccccn1.c1ccc2ncccc2c1.
What is the InChIKey of 1-pyridin-2-ylethanone;quinoline?
The InChIKey is QQCWFGDHHKTGII-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N.C7H7NO/c1-2-6-9-8(4-1)5-3-7-10-9;1-6(9)7-4-2-3-5-8-7/h1-7H;2-5H,1H3.
What are the key properties of 1-pyridin-2-ylethanone;quinoline?
1-pyridin-2-ylethanone;quinoline has a molecular weight of 250.30 g/mol, XLogP of 3.52, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-2-ylethanone;quinoline is sourced from PubChem (CID 175538468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).