5-methoxy-4-methyl-2-propan-2-ylisoquinolin-1-one

C14H17NO2 — CID 115038305

IUPAC5-methoxy-4-methyl-2-propan-2-ylisoquinolin-1-one
SMILESCOc1cccc2c(=O)n(C(C)C)cc(C)c12
InChIInChI=1S/C14H17NO2/c1-9(2)15-8-10(3)13-11(14(15)16)6-5-7-12(13)17-4/h5-9H,1-4H3
InChIKeyAGIHTKDKOMCSBK-UHFFFAOYSA-N
MW231.29 g/mol
LogP2.90
Rot. Bonds2

About 5-methoxy-4-methyl-2-propan-2-ylisoquinolin-1-one

5-methoxy-4-methyl-2-propan-2-ylisoquinolin-1-one (PubChem CID 115038305) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is 5-methoxy-4-methyl-2-propan-2-ylisoquinolin-1-one.

Molecular Properties

Compound Name5-methoxy-4-methyl-2-propan-2-ylisoquinolin-1-one
PubChem CID115038305
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name5-methoxy-4-methyl-2-propan-2-ylisoquinolin-1-one
SMILESCOc1cccc2c(=O)n(C(C)C)cc(C)c12
InChIInChI=1S/C14H17NO2/c1-9(2)15-8-10(3)13-11(14(15)16)6-5-7-12(13)17-4/h5-9H,1-4H3
InChIKeyAGIHTKDKOMCSBK-UHFFFAOYSA-N
XLogP2.90
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-4-methyl-2-propan-2-ylisoquinolin-1-one
CID 115041211
5-methoxy-2-methyl-4-propan-2-ylisoquinolin-1-one
CID 115063414
8-methoxy-2-methyl-4-propan-2-ylisoquinolin-1-one
CID 115063489
3-(1-aminoethyl)-8-methoxyquinazolin-4-one
CID 117264736
5-methoxy-3-propan-2-yl-1H-quinazoline-2,4-dione
CID 117261068
ethyl 2-hydroxy-2-(7-methoxy-1-propan-2-ylindol-3-yl)acetate
CID 115073347
1-(4-methoxy-1-propan-2-ylindol-3-yl)-N-methylethanamine
CID 117195040
5-cyclopropyl-3-methoxy-1-propan-2-ylpyridin-2-one
CID 157042479
3-[(2-methoxyphenoxy)methyl]-1-propan-2-ylindole
CID 117171875
8-methoxy-4-propan-2-yl-2H-isoquinolin-1-one
CID 115063386
3-(methoxymethyl)-7-methyl-1-propan-2-ylindole
CID 117186336
4-methyl-2-[(1S)-1-phenylethyl]isoquinolin-1-one
CID 102208891

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-methyl-2-propan-2-ylisoquinolin-1-one?
The IUPAC name of 5-methoxy-4-methyl-2-propan-2-ylisoquinolin-1-one (CID 115038305) is 5-methoxy-4-methyl-2-propan-2-ylisoquinolin-1-one.
What is the SMILES notation for 5-methoxy-4-methyl-2-propan-2-ylisoquinolin-1-one?
The canonical SMILES for 5-methoxy-4-methyl-2-propan-2-ylisoquinolin-1-one is COc1cccc2c(=O)n(C(C)C)cc(C)c12.
What is the InChIKey of 5-methoxy-4-methyl-2-propan-2-ylisoquinolin-1-one?
The InChIKey is AGIHTKDKOMCSBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-9(2)15-8-10(3)13-11(14(15)16)6-5-7-12(13)17-4/h5-9H,1-4H3.
What are the key properties of 5-methoxy-4-methyl-2-propan-2-ylisoquinolin-1-one?
5-methoxy-4-methyl-2-propan-2-ylisoquinolin-1-one has a molecular weight of 231.29 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-methyl-2-propan-2-ylisoquinolin-1-one is sourced from PubChem (CID 115038305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).