6-chloro-2-pyridin-3-yl-3,4-dihydroisoquinolin-1-one

C14H11ClN2O — CID 86685957

IUPAC6-chloro-2-pyridin-3-yl-3,4-dihydroisoquinolin-1-one
SMILESO=C1c2ccc(Cl)cc2CCN1c1cccnc1
InChIInChI=1S/C14H11ClN2O/c15-11-3-4-13-10(8-11)5-7-17(14(13)18)12-2-1-6-16-9-12/h1-4,6,8-9H,5,7H2
InChIKeyFBEWBUQUJHVHSR-UHFFFAOYSA-N
MW258.71 g/mol
LogP2.94
Rot. Bonds1

About 6-chloro-2-pyridin-3-yl-3,4-dihydroisoquinolin-1-one

6-chloro-2-pyridin-3-yl-3,4-dihydroisoquinolin-1-one (PubChem CID 86685957) has the molecular formula C14H11ClN2O and a molecular weight of 258.71 g/mol. Its IUPAC name is 6-chloro-2-pyridin-3-yl-3,4-dihydroisoquinolin-1-one.

Molecular Properties

Compound Name6-chloro-2-pyridin-3-yl-3,4-dihydroisoquinolin-1-one
PubChem CID86685957
Molecular FormulaC14H11ClN2O
Molecular Weight258.71 g/mol
Exact Mass258.06
IUPAC Name6-chloro-2-pyridin-3-yl-3,4-dihydroisoquinolin-1-one
SMILESO=C1c2ccc(Cl)cc2CCN1c1cccnc1
InChIInChI=1S/C14H11ClN2O/c15-11-3-4-13-10(8-11)5-7-17(14(13)18)12-2-1-6-16-9-12/h1-4,6,8-9H,5,7H2
InChIKeyFBEWBUQUJHVHSR-UHFFFAOYSA-N
XLogP2.94
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-chloro-2-pyridin-3-yl-3,4-dihydroisoquinolin-1-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 6-chloro-2-pyridin-3-yl-3,4-dihydroisoquinolin-1-one?
The IUPAC name of 6-chloro-2-pyridin-3-yl-3,4-dihydroisoquinolin-1-one (CID 86685957) is 6-chloro-2-pyridin-3-yl-3,4-dihydroisoquinolin-1-one.
What is the SMILES notation for 6-chloro-2-pyridin-3-yl-3,4-dihydroisoquinolin-1-one?
The canonical SMILES for 6-chloro-2-pyridin-3-yl-3,4-dihydroisoquinolin-1-one is O=C1c2ccc(Cl)cc2CCN1c1cccnc1.
What is the InChIKey of 6-chloro-2-pyridin-3-yl-3,4-dihydroisoquinolin-1-one?
The InChIKey is FBEWBUQUJHVHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O/c15-11-3-4-13-10(8-11)5-7-17(14(13)18)12-2-1-6-16-9-12/h1-4,6,8-9H,5,7H2.
What are the key properties of 6-chloro-2-pyridin-3-yl-3,4-dihydroisoquinolin-1-one?
6-chloro-2-pyridin-3-yl-3,4-dihydroisoquinolin-1-one has a molecular weight of 258.71 g/mol, XLogP of 2.94, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-pyridin-3-yl-3,4-dihydroisoquinolin-1-one is sourced from PubChem (CID 86685957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).