7-fluoro-8-pyridin-3-yl-3,4,4a,5-tetrahydro-1H-quinolin-2-one

C14H13FN2O — CID 89454390

IUPAC7-fluoro-8-pyridin-3-yl-3,4,4a,5-tetrahydro-1H-quinolin-2-one
SMILESO=C1CCC2CC=C(F)C(c3cccnc3)=C2N1
InChIInChI=1S/C14H13FN2O/c15-11-5-3-9-4-6-12(18)17-14(9)13(11)10-2-1-7-16-8-10/h1-2,5,7-9H,3-4,6H2,(H,17,18)
InChIKeyLCSVTFOAWOYVPW-UHFFFAOYSA-N
MW244.27 g/mol
LogP2.58
Rot. Bonds1

About 7-fluoro-8-pyridin-3-yl-3,4,4a,5-tetrahydro-1H-quinolin-2-one

7-fluoro-8-pyridin-3-yl-3,4,4a,5-tetrahydro-1H-quinolin-2-one (PubChem CID 89454390) has the molecular formula C14H13FN2O and a molecular weight of 244.27 g/mol. Its IUPAC name is 7-fluoro-8-pyridin-3-yl-3,4,4a,5-tetrahydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-fluoro-8-pyridin-3-yl-3,4,4a,5-tetrahydro-1H-quinolin-2-one
PubChem CID89454390
Molecular FormulaC14H13FN2O
Molecular Weight244.27 g/mol
Exact Mass244.10
IUPAC Name7-fluoro-8-pyridin-3-yl-3,4,4a,5-tetrahydro-1H-quinolin-2-one
SMILESO=C1CCC2CC=C(F)C(c3cccnc3)=C2N1
InChIInChI=1S/C14H13FN2O/c15-11-5-3-9-4-6-12(18)17-14(9)13(11)10-2-1-7-16-8-10/h1-2,5,7-9H,3-4,6H2,(H,17,18)
InChIKeyLCSVTFOAWOYVPW-UHFFFAOYSA-N
XLogP2.58
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-8-pyridin-3-yl-3,4,4a,5-tetrahydro-1H-quinolin-2-one?
The IUPAC name of 7-fluoro-8-pyridin-3-yl-3,4,4a,5-tetrahydro-1H-quinolin-2-one (CID 89454390) is 7-fluoro-8-pyridin-3-yl-3,4,4a,5-tetrahydro-1H-quinolin-2-one.
What is the SMILES notation for 7-fluoro-8-pyridin-3-yl-3,4,4a,5-tetrahydro-1H-quinolin-2-one?
The canonical SMILES for 7-fluoro-8-pyridin-3-yl-3,4,4a,5-tetrahydro-1H-quinolin-2-one is O=C1CCC2CC=C(F)C(c3cccnc3)=C2N1.
What is the InChIKey of 7-fluoro-8-pyridin-3-yl-3,4,4a,5-tetrahydro-1H-quinolin-2-one?
The InChIKey is LCSVTFOAWOYVPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O/c15-11-5-3-9-4-6-12(18)17-14(9)13(11)10-2-1-7-16-8-10/h1-2,5,7-9H,3-4,6H2,(H,17,18).
What are the key properties of 7-fluoro-8-pyridin-3-yl-3,4,4a,5-tetrahydro-1H-quinolin-2-one?
7-fluoro-8-pyridin-3-yl-3,4,4a,5-tetrahydro-1H-quinolin-2-one has a molecular weight of 244.27 g/mol, XLogP of 2.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-8-pyridin-3-yl-3,4,4a,5-tetrahydro-1H-quinolin-2-one is sourced from PubChem (CID 89454390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).