7-chloro-1-hydroxy-2-methylisoquinolin-3-one

C10H8ClNO2 — CID 54183727

IUPAC7-chloro-1-hydroxy-2-methylisoquinolin-3-one
SMILESCn1c(O)c2cc(Cl)ccc2cc1=O
InChIInChI=1S/C10H8ClNO2/c1-12-9(13)4-6-2-3-7(11)5-8(6)10(12)14/h2-5,14H,1H3
InChIKeyBCYIOWXAAKUKRG-UHFFFAOYSA-N
MW209.63 g/mol
LogP1.90
Rot. Bonds

About 7-chloro-1-hydroxy-2-methylisoquinolin-3-one

7-chloro-1-hydroxy-2-methylisoquinolin-3-one (PubChem CID 54183727) has the molecular formula C10H8ClNO2 and a molecular weight of 209.63 g/mol. Its IUPAC name is 7-chloro-1-hydroxy-2-methylisoquinolin-3-one.

Molecular Properties

Compound Name7-chloro-1-hydroxy-2-methylisoquinolin-3-one
PubChem CID54183727
Molecular FormulaC10H8ClNO2
Molecular Weight209.63 g/mol
Exact Mass209.02
IUPAC Name7-chloro-1-hydroxy-2-methylisoquinolin-3-one
SMILESCn1c(O)c2cc(Cl)ccc2cc1=O
InChIInChI=1S/C10H8ClNO2/c1-12-9(13)4-6-2-3-7(11)5-8(6)10(12)14/h2-5,14H,1H3
InChIKeyBCYIOWXAAKUKRG-UHFFFAOYSA-N
XLogP1.90
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.63
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-hydroxy-2-methylisoquinolin-3-one?
The IUPAC name of 7-chloro-1-hydroxy-2-methylisoquinolin-3-one (CID 54183727) is 7-chloro-1-hydroxy-2-methylisoquinolin-3-one.
What is the SMILES notation for 7-chloro-1-hydroxy-2-methylisoquinolin-3-one?
The canonical SMILES for 7-chloro-1-hydroxy-2-methylisoquinolin-3-one is Cn1c(O)c2cc(Cl)ccc2cc1=O.
What is the InChIKey of 7-chloro-1-hydroxy-2-methylisoquinolin-3-one?
The InChIKey is BCYIOWXAAKUKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNO2/c1-12-9(13)4-6-2-3-7(11)5-8(6)10(12)14/h2-5,14H,1H3.
What are the key properties of 7-chloro-1-hydroxy-2-methylisoquinolin-3-one?
7-chloro-1-hydroxy-2-methylisoquinolin-3-one has a molecular weight of 209.63 g/mol, XLogP of 1.90, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-hydroxy-2-methylisoquinolin-3-one is sourced from PubChem (CID 54183727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).