5-fluoro-1-[2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-oxoethyl]pyridin-2-one

C17H17FN2O2 — CID 99831437

IUPAC5-fluoro-1-[2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-oxoethyl]pyridin-2-one
SMILESC[C@@H]1CCc2ccccc2N1C(=O)Cn1cc(F)ccc1=O
InChIInChI=1S/C17H17FN2O2/c1-12-6-7-13-4-2-3-5-15(13)20(12)17(22)11-19-10-14(18)8-9-16(19)21/h2-5,8-10,12H,6-7,11H2,1H3/t12-/m1/s1
InChIKeyDVTFCRYQBLTNEU-GFCCVEGCSA-N
MW300.33 g/mol
LogP2.36
Rot. Bonds2

About 5-fluoro-1-[2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-oxoethyl]pyridin-2-one

5-fluoro-1-[2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-oxoethyl]pyridin-2-one (PubChem CID 99831437) has the molecular formula C17H17FN2O2 and a molecular weight of 300.33 g/mol. Its IUPAC name is 5-fluoro-1-[2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-oxoethyl]pyridin-2-one.

Molecular Properties

Compound Name5-fluoro-1-[2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-oxoethyl]pyridin-2-one
PubChem CID99831437
Molecular FormulaC17H17FN2O2
Molecular Weight300.33 g/mol
Exact Mass300.13
IUPAC Name5-fluoro-1-[2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-oxoethyl]pyridin-2-one
SMILESC[C@@H]1CCc2ccccc2N1C(=O)Cn1cc(F)ccc1=O
InChIInChI=1S/C17H17FN2O2/c1-12-6-7-13-4-2-3-5-15(13)20(12)17(22)11-19-10-14(18)8-9-16(19)21/h2-5,8-10,12H,6-7,11H2,1H3/t12-/m1/s1
InChIKeyDVTFCRYQBLTNEU-GFCCVEGCSA-N
XLogP2.36
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-[2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-oxoethyl]pyridin-2-one?
The IUPAC name of 5-fluoro-1-[2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-oxoethyl]pyridin-2-one (CID 99831437) is 5-fluoro-1-[2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-oxoethyl]pyridin-2-one.
What is the SMILES notation for 5-fluoro-1-[2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-oxoethyl]pyridin-2-one?
The canonical SMILES for 5-fluoro-1-[2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-oxoethyl]pyridin-2-one is C[C@@H]1CCc2ccccc2N1C(=O)Cn1cc(F)ccc1=O.
What is the InChIKey of 5-fluoro-1-[2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-oxoethyl]pyridin-2-one?
The InChIKey is DVTFCRYQBLTNEU-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H17FN2O2/c1-12-6-7-13-4-2-3-5-15(13)20(12)17(22)11-19-10-14(18)8-9-16(19)21/h2-5,8-10,12H,6-7,11H2,1H3/t12-/m1/s1.
What are the key properties of 5-fluoro-1-[2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-oxoethyl]pyridin-2-one?
5-fluoro-1-[2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-oxoethyl]pyridin-2-one has a molecular weight of 300.33 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-[2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-oxoethyl]pyridin-2-one is sourced from PubChem (CID 99831437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).