6-chloro-2-(oxan-4-yl)-3,4-dihydroisoquinolin-1-one

C14H16ClNO2 — CID 67468989

IUPAC6-chloro-2-(oxan-4-yl)-3,4-dihydroisoquinolin-1-one
SMILESO=C1c2ccc(Cl)cc2CCN1C1CCOCC1
InChIInChI=1S/C14H16ClNO2/c15-11-1-2-13-10(9-11)3-6-16(14(13)17)12-4-7-18-8-5-12/h1-2,9,12H,3-8H2
InChIKeyWVIZOTOMTPOGLO-UHFFFAOYSA-N
MW265.74 g/mol
LogP2.52
Rot. Bonds1

About 6-chloro-2-(oxan-4-yl)-3,4-dihydroisoquinolin-1-one

6-chloro-2-(oxan-4-yl)-3,4-dihydroisoquinolin-1-one (PubChem CID 67468989) has the molecular formula C14H16ClNO2 and a molecular weight of 265.74 g/mol. Its IUPAC name is 6-chloro-2-(oxan-4-yl)-3,4-dihydroisoquinolin-1-one.

Molecular Properties

Compound Name6-chloro-2-(oxan-4-yl)-3,4-dihydroisoquinolin-1-one
PubChem CID67468989
Molecular FormulaC14H16ClNO2
Molecular Weight265.74 g/mol
Exact Mass265.09
IUPAC Name6-chloro-2-(oxan-4-yl)-3,4-dihydroisoquinolin-1-one
SMILESO=C1c2ccc(Cl)cc2CCN1C1CCOCC1
InChIInChI=1S/C14H16ClNO2/c15-11-1-2-13-10(9-11)3-6-16(14(13)17)12-4-7-18-8-5-12/h1-2,9,12H,3-8H2
InChIKeyWVIZOTOMTPOGLO-UHFFFAOYSA-N
XLogP2.52
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-chloro-2-(oxan-4-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-(oxan-4-yl)-3,4-dihydroisoquinolin-1-one?
The IUPAC name of 6-chloro-2-(oxan-4-yl)-3,4-dihydroisoquinolin-1-one (CID 67468989) is 6-chloro-2-(oxan-4-yl)-3,4-dihydroisoquinolin-1-one.
What is the SMILES notation for 6-chloro-2-(oxan-4-yl)-3,4-dihydroisoquinolin-1-one?
The canonical SMILES for 6-chloro-2-(oxan-4-yl)-3,4-dihydroisoquinolin-1-one is O=C1c2ccc(Cl)cc2CCN1C1CCOCC1.
What is the InChIKey of 6-chloro-2-(oxan-4-yl)-3,4-dihydroisoquinolin-1-one?
The InChIKey is WVIZOTOMTPOGLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO2/c15-11-1-2-13-10(9-11)3-6-16(14(13)17)12-4-7-18-8-5-12/h1-2,9,12H,3-8H2.
What are the key properties of 6-chloro-2-(oxan-4-yl)-3,4-dihydroisoquinolin-1-one?
6-chloro-2-(oxan-4-yl)-3,4-dihydroisoquinolin-1-one has a molecular weight of 265.74 g/mol, XLogP of 2.52, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(oxan-4-yl)-3,4-dihydroisoquinolin-1-one is sourced from PubChem (CID 67468989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).