2-pyridin-4-yl-1-quinolin-3-ylethanone

C16H12N2O — CID 62551225

IUPAC2-pyridin-4-yl-1-quinolin-3-ylethanone
SMILESO=C(Cc1ccncc1)c1cnc2ccccc2c1
InChIInChI=1S/C16H12N2O/c19-16(9-12-5-7-17-8-6-12)14-10-13-3-1-2-4-15(13)18-11-14/h1-8,10-11H,9H2
InChIKeyJADQJQJZDCLIAP-UHFFFAOYSA-N
MW248.29 g/mol
LogP3.06
Rot. Bonds3

About 2-pyridin-4-yl-1-quinolin-3-ylethanone

2-pyridin-4-yl-1-quinolin-3-ylethanone (PubChem CID 62551225) has the molecular formula C16H12N2O and a molecular weight of 248.29 g/mol. Its IUPAC name is 2-pyridin-4-yl-1-quinolin-3-ylethanone.

Molecular Properties

Compound Name2-pyridin-4-yl-1-quinolin-3-ylethanone
PubChem CID62551225
Molecular FormulaC16H12N2O
Molecular Weight248.29 g/mol
Exact Mass248.09
IUPAC Name2-pyridin-4-yl-1-quinolin-3-ylethanone
SMILESO=C(Cc1ccncc1)c1cnc2ccccc2c1
InChIInChI=1S/C16H12N2O/c19-16(9-12-5-7-17-8-6-12)14-10-13-3-1-2-4-15(13)18-11-14/h1-8,10-11H,9H2
InChIKeyJADQJQJZDCLIAP-UHFFFAOYSA-N
XLogP3.06
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-dichloro-4-hydroxyphenyl)-1-quinolin-3-ylethanone
CID 66716474
3-pyridin-3-yl-1-quinolin-3-ylpropan-1-one
CID 105080957
3,3-dimethyl-1-quinolin-3-ylbutan-1-one
CID 63892352
1-quinolin-3-yloctan-1-one
CID 114963108
3-(3-methylphenyl)-1-quinolin-3-ylpropan-1-one
CID 105081061
quinoline-3-carboxylate
CID 4608508
quinoline-3-carboxamide;hydrofluoride
CID 174911514
1-(4-hydroxyphenyl)-2-pyridin-4-ylethanone
CID 22707004
3-piperidin-4-yl-1-quinolin-3-ylpropan-1-one
CID 116563315
ethyl 3-oxo-3-quinolin-3-ylpropanoate
CID 22925293
2-(4-methylphenyl)-1-quinolin-6-ylethanone
CID 63096314
carbonyl dichloride;quinoline-3-carboxylic acid
CID 175289113

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-4-yl-1-quinolin-3-ylethanone?
The IUPAC name of 2-pyridin-4-yl-1-quinolin-3-ylethanone (CID 62551225) is 2-pyridin-4-yl-1-quinolin-3-ylethanone.
What is the SMILES notation for 2-pyridin-4-yl-1-quinolin-3-ylethanone?
The canonical SMILES for 2-pyridin-4-yl-1-quinolin-3-ylethanone is O=C(Cc1ccncc1)c1cnc2ccccc2c1.
What is the InChIKey of 2-pyridin-4-yl-1-quinolin-3-ylethanone?
The InChIKey is JADQJQJZDCLIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O/c19-16(9-12-5-7-17-8-6-12)14-10-13-3-1-2-4-15(13)18-11-14/h1-8,10-11H,9H2.
What are the key properties of 2-pyridin-4-yl-1-quinolin-3-ylethanone?
2-pyridin-4-yl-1-quinolin-3-ylethanone has a molecular weight of 248.29 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-4-yl-1-quinolin-3-ylethanone is sourced from PubChem (CID 62551225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).