ethane;4-methyl-2H-isoquinolin-3-one

C14H21NO — CID 144872721

IUPACethane;4-methyl-2H-isoquinolin-3-one
SMILESCC.CC.Cc1c(=O)[nH]cc2ccccc12
InChIInChI=1S/C10H9NO.2C2H6/c1-7-9-5-3-2-4-8(9)6-11-10(7)12;2*1-2/h2-6H,1H3,(H,11,12);2*1-2H3
InChIKeyRIKPSAPCBYRBQX-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.89
Rot. Bonds

About ethane;4-methyl-2H-isoquinolin-3-one

ethane;4-methyl-2H-isoquinolin-3-one (PubChem CID 144872721) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is ethane;4-methyl-2H-isoquinolin-3-one.

Molecular Properties

Compound Nameethane;4-methyl-2H-isoquinolin-3-one
PubChem CID144872721
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Nameethane;4-methyl-2H-isoquinolin-3-one
SMILESCC.CC.Cc1c(=O)[nH]cc2ccccc12
InChIInChI=1S/C10H9NO.2C2H6/c1-7-9-5-3-2-4-8(9)6-11-10(7)12;2*1-2/h2-6H,1H3,(H,11,12);2*1-2H3
InChIKeyRIKPSAPCBYRBQX-UHFFFAOYSA-N
XLogP3.89
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-oxo-2H-isoquinoline-4-carbonitrile
CID 89302996
(3-oxo-2H-isoquinolin-4-yl)boronic acid
CID 162391463
4-methyl-2H-isoquinolin-1-one
CID 12695299
ethane;9-methylanthracene;naphthalene
CID 161226057
ethane;3-methyl-2H-isoquinolin-1-one
CID 144810835
ethane;4-methoxy-2H-isoquinolin-1-one
CID 90873525
1,2-dimethylnaphthalene;ethane
CID 90922397
9,10-dimethylanthracene;bis(9-methylanthracene)
CID 159714317
9-methylanthracene;naphthalene
CID 142881908
1-[4-(2H-isoindol-1-yl)phenyl]-2H-isoindole
CID 57226525
2-methylbenzene-1,3-dicarboxylic acid;1-oxo-2H-isoquinoline-4-carboxylic acid
CID 174724363
13-methyl-11,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13-heptaen-16-one
CID 14612598

Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-2H-isoquinolin-3-one?
The IUPAC name of ethane;4-methyl-2H-isoquinolin-3-one (CID 144872721) is ethane;4-methyl-2H-isoquinolin-3-one.
What is the SMILES notation for ethane;4-methyl-2H-isoquinolin-3-one?
The canonical SMILES for ethane;4-methyl-2H-isoquinolin-3-one is CC.CC.Cc1c(=O)[nH]cc2ccccc12.
What is the InChIKey of ethane;4-methyl-2H-isoquinolin-3-one?
The InChIKey is RIKPSAPCBYRBQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO.2C2H6/c1-7-9-5-3-2-4-8(9)6-11-10(7)12;2*1-2/h2-6H,1H3,(H,11,12);2*1-2H3.
What are the key properties of ethane;4-methyl-2H-isoquinolin-3-one?
ethane;4-methyl-2H-isoquinolin-3-one has a molecular weight of 219.33 g/mol, XLogP of 3.89, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-2H-isoquinolin-3-one is sourced from PubChem (CID 144872721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).