4-cyclopropyl-2-methyl-3-propylisoquinolin-1-one

C16H19NO — CID 71531401

IUPAC4-cyclopropyl-2-methyl-3-propylisoquinolin-1-one
SMILESCCCc1c(C2CC2)c2ccccc2c(=O)n1C
InChIInChI=1S/C16H19NO/c1-3-6-14-15(11-9-10-11)12-7-4-5-8-13(12)16(18)17(14)2/h4-5,7-8,11H,3,6,9-10H2,1-2H3
InChIKeyKJTOZUKBAOPXCC-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.37
Rot. Bonds3

About 4-cyclopropyl-2-methyl-3-propylisoquinolin-1-one

4-cyclopropyl-2-methyl-3-propylisoquinolin-1-one (PubChem CID 71531401) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 4-cyclopropyl-2-methyl-3-propylisoquinolin-1-one.

Molecular Properties

Compound Name4-cyclopropyl-2-methyl-3-propylisoquinolin-1-one
PubChem CID71531401
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name4-cyclopropyl-2-methyl-3-propylisoquinolin-1-one
SMILESCCCc1c(C2CC2)c2ccccc2c(=O)n1C
InChIInChI=1S/C16H19NO/c1-3-6-14-15(11-9-10-11)12-7-4-5-8-13(12)16(18)17(14)2/h4-5,7-8,11H,3,6,9-10H2,1-2H3
InChIKeyKJTOZUKBAOPXCC-UHFFFAOYSA-N
XLogP3.37
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-methyl-3-propylisoquinolin-1-one?
The IUPAC name of 4-cyclopropyl-2-methyl-3-propylisoquinolin-1-one (CID 71531401) is 4-cyclopropyl-2-methyl-3-propylisoquinolin-1-one.
What is the SMILES notation for 4-cyclopropyl-2-methyl-3-propylisoquinolin-1-one?
The canonical SMILES for 4-cyclopropyl-2-methyl-3-propylisoquinolin-1-one is CCCc1c(C2CC2)c2ccccc2c(=O)n1C.
What is the InChIKey of 4-cyclopropyl-2-methyl-3-propylisoquinolin-1-one?
The InChIKey is KJTOZUKBAOPXCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-3-6-14-15(11-9-10-11)12-7-4-5-8-13(12)16(18)17(14)2/h4-5,7-8,11H,3,6,9-10H2,1-2H3.
What are the key properties of 4-cyclopropyl-2-methyl-3-propylisoquinolin-1-one?
4-cyclopropyl-2-methyl-3-propylisoquinolin-1-one has a molecular weight of 241.33 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-methyl-3-propylisoquinolin-1-one is sourced from PubChem (CID 71531401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).