7-chloro-2-methyl-3,4-dihydroisoquinolin-1-one

C10H10ClNO — CID 71619417

IUPAC7-chloro-2-methyl-3,4-dihydroisoquinolin-1-one
SMILESCN1CCc2ccc(Cl)cc2C1=O
InChIInChI=1S/C10H10ClNO/c1-12-5-4-7-2-3-8(11)6-9(7)10(12)13/h2-3,6H,4-5H2,1H3
InChIKeyQWMNJWPHVFKOBD-UHFFFAOYSA-N
MW195.65 g/mol
LogP1.97
Rot. Bonds

About 7-chloro-2-methyl-3,4-dihydroisoquinolin-1-one

7-chloro-2-methyl-3,4-dihydroisoquinolin-1-one (PubChem CID 71619417) has the molecular formula C10H10ClNO and a molecular weight of 195.65 g/mol. Its IUPAC name is 7-chloro-2-methyl-3,4-dihydroisoquinolin-1-one.

Molecular Properties

Compound Name7-chloro-2-methyl-3,4-dihydroisoquinolin-1-one
PubChem CID71619417
Molecular FormulaC10H10ClNO
Molecular Weight195.65 g/mol
Exact Mass195.05
IUPAC Name7-chloro-2-methyl-3,4-dihydroisoquinolin-1-one
SMILESCN1CCc2ccc(Cl)cc2C1=O
InChIInChI=1S/C10H10ClNO/c1-12-5-4-7-2-3-8(11)6-9(7)10(12)13/h2-3,6H,4-5H2,1H3
InChIKeyQWMNJWPHVFKOBD-UHFFFAOYSA-N
XLogP1.97
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.65
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-methyl-3,4-dihydroisoquinolin-1-one?
The IUPAC name of 7-chloro-2-methyl-3,4-dihydroisoquinolin-1-one (CID 71619417) is 7-chloro-2-methyl-3,4-dihydroisoquinolin-1-one.
What is the SMILES notation for 7-chloro-2-methyl-3,4-dihydroisoquinolin-1-one?
The canonical SMILES for 7-chloro-2-methyl-3,4-dihydroisoquinolin-1-one is CN1CCc2ccc(Cl)cc2C1=O.
What is the InChIKey of 7-chloro-2-methyl-3,4-dihydroisoquinolin-1-one?
The InChIKey is QWMNJWPHVFKOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO/c1-12-5-4-7-2-3-8(11)6-9(7)10(12)13/h2-3,6H,4-5H2,1H3.
What are the key properties of 7-chloro-2-methyl-3,4-dihydroisoquinolin-1-one?
7-chloro-2-methyl-3,4-dihydroisoquinolin-1-one has a molecular weight of 195.65 g/mol, XLogP of 1.97, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-methyl-3,4-dihydroisoquinolin-1-one is sourced from PubChem (CID 71619417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).