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

C10H8ClNO — CID 23084656

IUPAC7-chloro-3-methyl-2H-isoquinolin-1-one
SMILESCc1cc2ccc(Cl)cc2c(=O)[nH]1
InChIInChI=1S/C10H8ClNO/c1-6-4-7-2-3-8(11)5-9(7)10(13)12-6/h2-5H,1H3,(H,12,13)
InChIKeyCHXAYUSRURSBER-UHFFFAOYSA-N
MW193.63 g/mol
LogP2.49
Rot. Bonds

About 7-chloro-3-methyl-2H-isoquinolin-1-one

7-chloro-3-methyl-2H-isoquinolin-1-one (PubChem CID 23084656) has the molecular formula C10H8ClNO and a molecular weight of 193.63 g/mol. Its IUPAC name is 7-chloro-3-methyl-2H-isoquinolin-1-one.

Molecular Properties

Compound Name7-chloro-3-methyl-2H-isoquinolin-1-one
PubChem CID23084656
Molecular FormulaC10H8ClNO
Molecular Weight193.63 g/mol
Exact Mass193.03
IUPAC Name7-chloro-3-methyl-2H-isoquinolin-1-one
SMILESCc1cc2ccc(Cl)cc2c(=O)[nH]1
InChIInChI=1S/C10H8ClNO/c1-6-4-7-2-3-8(11)5-9(7)10(13)12-6/h2-5H,1H3,(H,12,13)
InChIKeyCHXAYUSRURSBER-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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Related Compounds

5-Amino-3-(4-Chlorophenyl)isoquinolin-1(2h)-One
CID 71769288
4-Chloro-N-(1-methylethyl)benzamide
CID 24045
7-Chloro-1,2,3,4-tetrahydroisoquinolin-1-one
CID 18672397
3-Methyl-1,2-dihydroisoquinolin-1-one
CID 3244477
N-Butyl-3-chlorobenzamide
CID 3552304
8-chloro-1,4,5,6-tetrahydrobenzo[f]quinolin-3(2H)-one
CID 10466539
N-(butan-2-yl)-4-chlorobenzamide
CID 346666
3-Chloro-N-(1-phenylethyl)benzamide
CID 2841547
N-tert-butyl-2-chlorobenzamide
CID 4644665
CHEMBL1812728 (26)
CID 15337406
4-chloro-N-[2-(1-cyclohexen-1-yl)ethyl]benzamide
CID 730332
8-Chloro-10b-methyl-1,4,6,10b-tetrahydro-2H-benzo[f]quinolin-3-one
CID 10467173

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-methyl-2H-isoquinolin-1-one?
The IUPAC name of 7-chloro-3-methyl-2H-isoquinolin-1-one (CID 23084656) is 7-chloro-3-methyl-2H-isoquinolin-1-one.
What is the SMILES notation for 7-chloro-3-methyl-2H-isoquinolin-1-one?
The canonical SMILES for 7-chloro-3-methyl-2H-isoquinolin-1-one is Cc1cc2ccc(Cl)cc2c(=O)[nH]1.
What is the InChIKey of 7-chloro-3-methyl-2H-isoquinolin-1-one?
The InChIKey is CHXAYUSRURSBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNO/c1-6-4-7-2-3-8(11)5-9(7)10(13)12-6/h2-5H,1H3,(H,12,13).
What are the key properties of 7-chloro-3-methyl-2H-isoquinolin-1-one?
7-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 7-chloro-3-methyl-2H-isoquinolin-1-one is sourced from PubChem (CID 23084656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).