5-[(3-fluorophenyl)methyl]-6-(2-hydroxy-1,3-dimethyl-2H-pyridin-5-yl)-3,4-dihydro-1H-quinolin-2-one

C23H23FN2O2 — CID 155135229

IUPAC5-[(3-fluorophenyl)methyl]-6-(2-hydroxy-1,3-dimethyl-2H-pyridin-5-yl)-3,4-dihydro-1H-quinolin-2-one
SMILESCC1=CC(c2ccc3c(c2Cc2cccc(F)c2)CCC(=O)N3)=CN(C)C1O
InChIInChI=1S/C23H23FN2O2/c1-14-10-16(13-26(2)23(14)28)18-6-8-21-19(7-9-22(27)25-21)20(18)12-15-4-3-5-17(24)11-15/h3-6,8,10-11,13,23,28H,7,9,12H2,1-2H3,(H,25,27)
InChIKeyWKVFBDFASOTHEG-UHFFFAOYSA-N
MW378.45 g/mol
LogP3.85
Rot. Bonds3

About 5-[(3-fluorophenyl)methyl]-6-(2-hydroxy-1,3-dimethyl-2H-pyridin-5-yl)-3,4-dihydro-1H-quinolin-2-one

5-[(3-fluorophenyl)methyl]-6-(2-hydroxy-1,3-dimethyl-2H-pyridin-5-yl)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 155135229) has the molecular formula C23H23FN2O2 and a molecular weight of 378.45 g/mol. Its IUPAC name is 5-[(3-fluorophenyl)methyl]-6-(2-hydroxy-1,3-dimethyl-2H-pyridin-5-yl)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name5-[(3-fluorophenyl)methyl]-6-(2-hydroxy-1,3-dimethyl-2H-pyridin-5-yl)-3,4-dihydro-1H-quinolin-2-one
PubChem CID155135229
Molecular FormulaC23H23FN2O2
Molecular Weight378.45 g/mol
Exact Mass378.17
IUPAC Name5-[(3-fluorophenyl)methyl]-6-(2-hydroxy-1,3-dimethyl-2H-pyridin-5-yl)-3,4-dihydro-1H-quinolin-2-one
SMILESCC1=CC(c2ccc3c(c2Cc2cccc(F)c2)CCC(=O)N3)=CN(C)C1O
InChIInChI=1S/C23H23FN2O2/c1-14-10-16(13-26(2)23(14)28)18-6-8-21-19(7-9-22(27)25-21)20(18)12-15-4-3-5-17(24)11-15/h3-6,8,10-11,13,23,28H,7,9,12H2,1-2H3,(H,25,27)
InChIKeyWKVFBDFASOTHEG-UHFFFAOYSA-N
XLogP3.85
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluorophenyl)methyl]-6-(2-hydroxy-1,3-dimethyl-2H-pyridin-5-yl)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 5-[(3-fluorophenyl)methyl]-6-(2-hydroxy-1,3-dimethyl-2H-pyridin-5-yl)-3,4-dihydro-1H-quinolin-2-one (CID 155135229) is 5-[(3-fluorophenyl)methyl]-6-(2-hydroxy-1,3-dimethyl-2H-pyridin-5-yl)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 5-[(3-fluorophenyl)methyl]-6-(2-hydroxy-1,3-dimethyl-2H-pyridin-5-yl)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 5-[(3-fluorophenyl)methyl]-6-(2-hydroxy-1,3-dimethyl-2H-pyridin-5-yl)-3,4-dihydro-1H-quinolin-2-one is CC1=CC(c2ccc3c(c2Cc2cccc(F)c2)CCC(=O)N3)=CN(C)C1O.
What is the InChIKey of 5-[(3-fluorophenyl)methyl]-6-(2-hydroxy-1,3-dimethyl-2H-pyridin-5-yl)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is WKVFBDFASOTHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O2/c1-14-10-16(13-26(2)23(14)28)18-6-8-21-19(7-9-22(27)25-21)20(18)12-15-4-3-5-17(24)11-15/h3-6,8,10-11,13,23,28H,7,9,12H2,1-2H3,(H,25,27).
What are the key properties of 5-[(3-fluorophenyl)methyl]-6-(2-hydroxy-1,3-dimethyl-2H-pyridin-5-yl)-3,4-dihydro-1H-quinolin-2-one?
5-[(3-fluorophenyl)methyl]-6-(2-hydroxy-1,3-dimethyl-2H-pyridin-5-yl)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 378.45 g/mol, XLogP of 3.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-fluorophenyl)methyl]-6-(2-hydroxy-1,3-dimethyl-2H-pyridin-5-yl)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 155135229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).