1-[1-(pyridine-3-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]ethanone

C17H16N2O2 — CID 110737710

IUPAC1-[1-(pyridine-3-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]ethanone
SMILESCC(=O)c1ccc2c(c1)CCCN2C(=O)c1cccnc1
InChIInChI=1S/C17H16N2O2/c1-12(20)13-6-7-16-14(10-13)5-3-9-19(16)17(21)15-4-2-8-18-11-15/h2,4,6-8,10-11H,3,5,9H2,1H3
InChIKeyGWGIYLAWHIEHLN-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.88
Rot. Bonds2

About 1-[1-(pyridine-3-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]ethanone

1-[1-(pyridine-3-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]ethanone (PubChem CID 110737710) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 1-[1-(pyridine-3-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]ethanone.

Molecular Properties

Compound Name1-[1-(pyridine-3-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]ethanone
PubChem CID110737710
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name1-[1-(pyridine-3-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]ethanone
SMILESCC(=O)c1ccc2c(c1)CCCN2C(=O)c1cccnc1
InChIInChI=1S/C17H16N2O2/c1-12(20)13-6-7-16-14(10-13)5-3-9-19(16)17(21)15-4-2-8-18-11-15/h2,4,6-8,10-11H,3,5,9H2,1H3
InChIKeyGWGIYLAWHIEHLN-UHFFFAOYSA-N
XLogP2.88
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-[1-(pyridine-3-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide
CID 112505958
2-amino-2-methyl-N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]propanamide
CID 119888320
1-[1-(pyridin-3-ylmethyl)-3,4-dihydro-2H-quinolin-6-yl]ethanone
CID 102662618
3,4-dihydro-2H-1,6-naphthyridin-1-yl-(3-methylphenyl)methanone;methane
CID 143489580
N-[1-(pyridine-3-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]-3-thiophen-2-ylpropanamide
CID 110303760
(1-methyl-5,6-dihydro-4H-pyrazolo[5,4-b]pyridin-7-yl)-pyridin-3-ylmethanone
CID 154848941
N-[3-(5-acetyl-2,3-dihydroindole-1-carbonyl)phenyl]acetamide
CID 110746144
10-[(4-ethylphenyl)methyl]-2-(pyridine-3-carbonyl)-2,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-14-carboxylic acid
CID 133078438
1-[1-(cyclohexanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]ethanone
CID 110737681
1-(4-chlorophenyl)-N-[1-(pyridine-3-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]methanesulfonamide
CID 52905682
1-[3-[[5-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-pyridinyl]amino]phenyl]ethanone
CID 109162524
10-[(3-methylphenyl)methyl]-2-(pyridine-3-carbonyl)-2,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-14-carboxylic acid
CID 133078410

Frequently Asked Questions

What is the IUPAC name of 1-[1-(pyridine-3-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]ethanone?
The IUPAC name of 1-[1-(pyridine-3-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]ethanone (CID 110737710) is 1-[1-(pyridine-3-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]ethanone.
What is the SMILES notation for 1-[1-(pyridine-3-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]ethanone?
The canonical SMILES for 1-[1-(pyridine-3-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]ethanone is CC(=O)c1ccc2c(c1)CCCN2C(=O)c1cccnc1.
What is the InChIKey of 1-[1-(pyridine-3-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]ethanone?
The InChIKey is GWGIYLAWHIEHLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-12(20)13-6-7-16-14(10-13)5-3-9-19(16)17(21)15-4-2-8-18-11-15/h2,4,6-8,10-11H,3,5,9H2,1H3.
What are the key properties of 1-[1-(pyridine-3-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]ethanone?
1-[1-(pyridine-3-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]ethanone has a molecular weight of 280.33 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(pyridine-3-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]ethanone is sourced from PubChem (CID 110737710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).