6-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]-3,4-dihydro-1H-quinolin-2-one

C17H13F3N2O3 — CID 9118621

IUPAC6-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(C(=O)Cn3cc(C(F)(F)F)ccc3=O)ccc2N1
InChIInChI=1S/C17H13F3N2O3/c18-17(19,20)12-3-6-16(25)22(8-12)9-14(23)11-1-4-13-10(7-11)2-5-15(24)21-13/h1,3-4,6-8H,2,5,9H2,(H,21,24)
InChIKeyARWCUNPBCDNMJO-UHFFFAOYSA-N
MW350.30 g/mol
LogP2.63
Rot. Bonds3

About 6-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]-3,4-dihydro-1H-quinolin-2-one

6-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 9118621) has the molecular formula C17H13F3N2O3 and a molecular weight of 350.30 g/mol. Its IUPAC name is 6-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID9118621
Molecular FormulaC17H13F3N2O3
Molecular Weight350.30 g/mol
Exact Mass350.09
IUPAC Name6-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(C(=O)Cn3cc(C(F)(F)F)ccc3=O)ccc2N1
InChIInChI=1S/C17H13F3N2O3/c18-17(19,20)12-3-6-16(25)22(8-12)9-14(23)11-1-4-13-10(7-11)2-5-15(24)21-13/h1,3-4,6-8H,2,5,9H2,(H,21,24)
InChIKeyARWCUNPBCDNMJO-UHFFFAOYSA-N
XLogP2.63
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.30
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]-3,4-dihydro-1H-quinolin-2-one with MolForge

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Related Compounds

7-fluoro-3-[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]quinazolin-4-one
CID 40743944
ethyl 4-[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]piperazine-1-carboxylate
CID 13136738
1-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]-5-(trifluoromethyl)pyridin-2-one
CID 7802597
6-(3-amino-3-methylbutanoyl)-3,4-dihydro-1H-quinolin-2-one
CID 116915723
ethyl 4-[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]piperazine-1-carboxylate;hydrochloride
CID 13136739
2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetic acid
CID 702585
6-(2-phenylsulfanylacetyl)-3,4-dihydro-1H-quinolin-2-one
CID 2801269
N-[[4-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]phenyl]methyl]acetamide
CID 17409636
6-(2-amino-2-methylpropanoyl)-3,4-dihydro-1H-quinolin-2-one
CID 116915356
6-(3-aminobutanoyl)-3,4-dihydro-1H-quinolin-2-one
CID 116915592
2-[[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]amino]acetic acid
CID 82485450
6-(2-pyrimidin-2-ylacetyl)-3,4-dihydro-1H-quinolin-2-one
CID 116833046

Frequently Asked Questions

What is the IUPAC name of 6-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]-3,4-dihydro-1H-quinolin-2-one (CID 9118621) is 6-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(C(=O)Cn3cc(C(F)(F)F)ccc3=O)ccc2N1.
What is the InChIKey of 6-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is ARWCUNPBCDNMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O3/c18-17(19,20)12-3-6-16(25)22(8-12)9-14(23)11-1-4-13-10(7-11)2-5-15(24)21-13/h1,3-4,6-8H,2,5,9H2,(H,21,24).
What are the key properties of 6-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]-3,4-dihydro-1H-quinolin-2-one?
6-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 350.30 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 9118621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).