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

C10H8ClNO — CID 114517495

IUPAC5-chloro-8-methyl-2H-isoquinolin-1-one
SMILESCc1ccc(Cl)c2cc[nH]c(=O)c12
InChIInChI=1S/C10H8ClNO/c1-6-2-3-8(11)7-4-5-12-10(13)9(6)7/h2-5H,1H3,(H,12,13)
InChIKeyKXMAGALNFRHDNI-UHFFFAOYSA-N
MW193.63 g/mol
LogP2.49
Rot. Bonds

About 5-chloro-8-methyl-2H-isoquinolin-1-one

5-chloro-8-methyl-2H-isoquinolin-1-one (PubChem CID 114517495) has the molecular formula C10H8ClNO and a molecular weight of 193.63 g/mol. Its IUPAC name is 5-chloro-8-methyl-2H-isoquinolin-1-one.

Molecular Properties

Compound Name5-chloro-8-methyl-2H-isoquinolin-1-one
PubChem CID114517495
Molecular FormulaC10H8ClNO
Molecular Weight193.63 g/mol
Exact Mass193.03
IUPAC Name5-chloro-8-methyl-2H-isoquinolin-1-one
SMILESCc1ccc(Cl)c2cc[nH]c(=O)c12
InChIInChI=1S/C10H8ClNO/c1-6-2-3-8(11)7-4-5-12-10(13)9(6)7/h2-5H,1H3,(H,12,13)
InChIKeyKXMAGALNFRHDNI-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 5-chloro-8-methyl-2H-isoquinolin-1-one?
The IUPAC name of 5-chloro-8-methyl-2H-isoquinolin-1-one (CID 114517495) is 5-chloro-8-methyl-2H-isoquinolin-1-one.
What is the SMILES notation for 5-chloro-8-methyl-2H-isoquinolin-1-one?
The canonical SMILES for 5-chloro-8-methyl-2H-isoquinolin-1-one is Cc1ccc(Cl)c2cc[nH]c(=O)c12.
What is the InChIKey of 5-chloro-8-methyl-2H-isoquinolin-1-one?
The InChIKey is KXMAGALNFRHDNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNO/c1-6-2-3-8(11)7-4-5-12-10(13)9(6)7/h2-5H,1H3,(H,12,13).
What are the key properties of 5-chloro-8-methyl-2H-isoquinolin-1-one?
5-chloro-8-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 5-chloro-8-methyl-2H-isoquinolin-1-one is sourced from PubChem (CID 114517495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).