8-chloro-6-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one

C14H11ClN2O — CID 25180299

IUPAC8-chloro-6-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(-c3cccnc3)cc(Cl)c2N1
InChIInChI=1S/C14H11ClN2O/c15-12-7-11(10-2-1-5-16-8-10)6-9-3-4-13(18)17-14(9)12/h1-2,5-8H,3-4H2,(H,17,18)
InChIKeyLNWWJGFDKHJMCB-UHFFFAOYSA-N
MW258.71 g/mol
LogP3.29
Rot. Bonds1

About 8-chloro-6-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one

8-chloro-6-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one (PubChem CID 25180299) has the molecular formula C14H11ClN2O and a molecular weight of 258.71 g/mol. Its IUPAC name is 8-chloro-6-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name8-chloro-6-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one
PubChem CID25180299
Molecular FormulaC14H11ClN2O
Molecular Weight258.71 g/mol
Exact Mass258.06
IUPAC Name8-chloro-6-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(-c3cccnc3)cc(Cl)c2N1
InChIInChI=1S/C14H11ClN2O/c15-12-7-11(10-2-1-5-16-8-10)6-9-3-4-13(18)17-14(9)12/h1-2,5-8H,3-4H2,(H,17,18)
InChIKeyLNWWJGFDKHJMCB-UHFFFAOYSA-N
XLogP3.29
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 8-chloro-6-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-chloro-6-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 8-chloro-6-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one (CID 25180299) is 8-chloro-6-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 8-chloro-6-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 8-chloro-6-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(-c3cccnc3)cc(Cl)c2N1.
What is the InChIKey of 8-chloro-6-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is LNWWJGFDKHJMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O/c15-12-7-11(10-2-1-5-16-8-10)6-9-3-4-13(18)17-14(9)12/h1-2,5-8H,3-4H2,(H,17,18).
What are the key properties of 8-chloro-6-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one?
8-chloro-6-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 258.71 g/mol, XLogP of 3.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-6-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 25180299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).