8-chloro-3-methyl-2H-isoquinolin-1-one

C10H8ClNO — CID 114517583

IUPAC8-chloro-3-methyl-2H-isoquinolin-1-one
SMILESCc1cc2cccc(Cl)c2c(=O)[nH]1
InChIInChI=1S/C10H8ClNO/c1-6-5-7-3-2-4-8(11)9(7)10(13)12-6/h2-5H,1H3,(H,12,13)
InChIKeyGZXRGHMNUDTBJS-UHFFFAOYSA-N
MW193.63 g/mol
LogP2.49
Rot. Bonds

About 8-chloro-3-methyl-2H-isoquinolin-1-one

8-chloro-3-methyl-2H-isoquinolin-1-one (PubChem CID 114517583) has the molecular formula C10H8ClNO and a molecular weight of 193.63 g/mol. Its IUPAC name is 8-chloro-3-methyl-2H-isoquinolin-1-one.

Molecular Properties

Compound Name8-chloro-3-methyl-2H-isoquinolin-1-one
PubChem CID114517583
Molecular FormulaC10H8ClNO
Molecular Weight193.63 g/mol
Exact Mass193.03
IUPAC Name8-chloro-3-methyl-2H-isoquinolin-1-one
SMILESCc1cc2cccc(Cl)c2c(=O)[nH]1
InChIInChI=1S/C10H8ClNO/c1-6-5-7-3-2-4-8(11)9(7)10(13)12-6/h2-5H,1H3,(H,12,13)
InChIKeyGZXRGHMNUDTBJS-UHFFFAOYSA-N
XLogP2.49
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.63
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-3-methyl-2H-isoquinolin-1-one?
The IUPAC name of 8-chloro-3-methyl-2H-isoquinolin-1-one (CID 114517583) is 8-chloro-3-methyl-2H-isoquinolin-1-one.
What is the SMILES notation for 8-chloro-3-methyl-2H-isoquinolin-1-one?
The canonical SMILES for 8-chloro-3-methyl-2H-isoquinolin-1-one is Cc1cc2cccc(Cl)c2c(=O)[nH]1.
What is the InChIKey of 8-chloro-3-methyl-2H-isoquinolin-1-one?
The InChIKey is GZXRGHMNUDTBJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNO/c1-6-5-7-3-2-4-8(11)9(7)10(13)12-6/h2-5H,1H3,(H,12,13).
What are the key properties of 8-chloro-3-methyl-2H-isoquinolin-1-one?
8-chloro-3-methyl-2H-isoquinolin-1-one has a molecular weight of 193.63 g/mol, XLogP of 2.49, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3-methyl-2H-isoquinolin-1-one is sourced from PubChem (CID 114517583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).