2-methyl-7-propan-2-yloxyisoquinolin-1-one

C13H15NO2 — CID 141403159

IUPAC2-methyl-7-propan-2-yloxyisoquinolin-1-one
SMILESCC(C)Oc1ccc2ccn(C)c(=O)c2c1
InChIInChI=1S/C13H15NO2/c1-9(2)16-11-5-4-10-6-7-14(3)13(15)12(10)8-11/h4-9H,1-3H3
InChIKeyDNYLMZUXLZTVIF-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.33
Rot. Bonds2

About 2-methyl-7-propan-2-yloxyisoquinolin-1-one

2-methyl-7-propan-2-yloxyisoquinolin-1-one (PubChem CID 141403159) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-methyl-7-propan-2-yloxyisoquinolin-1-one.

Molecular Properties

Compound Name2-methyl-7-propan-2-yloxyisoquinolin-1-one
PubChem CID141403159
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name2-methyl-7-propan-2-yloxyisoquinolin-1-one
SMILESCC(C)Oc1ccc2ccn(C)c(=O)c2c1
InChIInChI=1S/C13H15NO2/c1-9(2)16-11-5-4-10-6-7-14(3)13(15)12(10)8-11/h4-9H,1-3H3
InChIKeyDNYLMZUXLZTVIF-UHFFFAOYSA-N
XLogP2.33
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-aminophenyl)methyl]-6-propan-2-yloxyisoquinolin-1-one
CID 94758170
3,4-dimethoxy-1-methyl-7-propan-2-yloxyquinolin-2-one
CID 139717812
methyl 7-methoxy-1-oxoisoquinoline-2-carboxylate
CID 175088809
1-(2-methoxyethyl)-5-propan-2-yloxyindole
CID 116625827
7-(hydroxymethyl)-6-(iodomethoxy)-2-methylisoquinolin-1-one
CID 59620305
1-(3-fluoropropyl)-5-propan-2-yloxyindole
CID 116625898
4-(5-propan-2-yloxyindol-1-yl)butan-1-amine
CID 80643163
N-propan-2-yl-3-(5-propan-2-yloxyindol-1-yl)propanamide
CID 116625781
2,5-di(propan-2-yloxy)aniline
CID 18997718
4-butan-2-yloxy-1-methylpyridin-2-one
CID 163998897
8-(hydroxymethyl)-2-propan-2-yloxypyrido[2,1-b]quinazolin-11-one
CID 20525676
4-hydroxy-3-methoxy-1-methyl-7-propan-2-yloxyquinolin-2-one
CID 139717841

Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-propan-2-yloxyisoquinolin-1-one?
The IUPAC name of 2-methyl-7-propan-2-yloxyisoquinolin-1-one (CID 141403159) is 2-methyl-7-propan-2-yloxyisoquinolin-1-one.
What is the SMILES notation for 2-methyl-7-propan-2-yloxyisoquinolin-1-one?
The canonical SMILES for 2-methyl-7-propan-2-yloxyisoquinolin-1-one is CC(C)Oc1ccc2ccn(C)c(=O)c2c1.
What is the InChIKey of 2-methyl-7-propan-2-yloxyisoquinolin-1-one?
The InChIKey is DNYLMZUXLZTVIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-9(2)16-11-5-4-10-6-7-14(3)13(15)12(10)8-11/h4-9H,1-3H3.
What are the key properties of 2-methyl-7-propan-2-yloxyisoquinolin-1-one?
2-methyl-7-propan-2-yloxyisoquinolin-1-one has a molecular weight of 217.27 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-propan-2-yloxyisoquinolin-1-one is sourced from PubChem (CID 141403159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).