5-(fluoromethyl)-6-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one

C15H13FN2O — CID 70248696

IUPAC5-(fluoromethyl)-6-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2c(ccc(-c3cccnc3)c2CF)N1
InChIInChI=1S/C15H13FN2O/c16-8-13-11(10-2-1-7-17-9-10)3-5-14-12(13)4-6-15(19)18-14/h1-3,5,7,9H,4,6,8H2,(H,18,19)
InChIKeyAARGHJLGFCKLRZ-UHFFFAOYSA-N
MW256.28 g/mol
LogP3.10
Rot. Bonds2

About 5-(fluoromethyl)-6-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one

5-(fluoromethyl)-6-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one (PubChem CID 70248696) has the molecular formula C15H13FN2O and a molecular weight of 256.28 g/mol. Its IUPAC name is 5-(fluoromethyl)-6-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name5-(fluoromethyl)-6-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one
PubChem CID70248696
Molecular FormulaC15H13FN2O
Molecular Weight256.28 g/mol
Exact Mass256.10
IUPAC Name5-(fluoromethyl)-6-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2c(ccc(-c3cccnc3)c2CF)N1
InChIInChI=1S/C15H13FN2O/c16-8-13-11(10-2-1-7-17-9-10)3-5-14-12(13)4-6-15(19)18-14/h1-3,5,7,9H,4,6,8H2,(H,18,19)
InChIKeyAARGHJLGFCKLRZ-UHFFFAOYSA-N
XLogP3.10
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(fluoromethyl)-6-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 5-(fluoromethyl)-6-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one (CID 70248696) is 5-(fluoromethyl)-6-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 5-(fluoromethyl)-6-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 5-(fluoromethyl)-6-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2c(ccc(-c3cccnc3)c2CF)N1.
What is the InChIKey of 5-(fluoromethyl)-6-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is AARGHJLGFCKLRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O/c16-8-13-11(10-2-1-7-17-9-10)3-5-14-12(13)4-6-15(19)18-14/h1-3,5,7,9H,4,6,8H2,(H,18,19).
What are the key properties of 5-(fluoromethyl)-6-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one?
5-(fluoromethyl)-6-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 256.28 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(fluoromethyl)-6-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 70248696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).