3-(1-aminoethyl)-2-cyclopropylisoquinolin-1-one

C14H16N2O — CID 175300305

IUPAC3-(1-aminoethyl)-2-cyclopropylisoquinolin-1-one
SMILESCC(N)c1cc2ccccc2c(=O)n1C1CC1
InChIInChI=1S/C14H16N2O/c1-9(15)13-8-10-4-2-3-5-12(10)14(17)16(13)11-6-7-11/h2-5,8-9,11H,6-7,15H2,1H3
InChIKeyHQSUUZQHMIYEGJ-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.36
Rot. Bonds2

About 3-(1-aminoethyl)-2-cyclopropylisoquinolin-1-one

3-(1-aminoethyl)-2-cyclopropylisoquinolin-1-one (PubChem CID 175300305) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is 3-(1-aminoethyl)-2-cyclopropylisoquinolin-1-one.

Molecular Properties

Compound Name3-(1-aminoethyl)-2-cyclopropylisoquinolin-1-one
PubChem CID175300305
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name3-(1-aminoethyl)-2-cyclopropylisoquinolin-1-one
SMILESCC(N)c1cc2ccccc2c(=O)n1C1CC1
InChIInChI=1S/C14H16N2O/c1-9(15)13-8-10-4-2-3-5-12(10)14(17)16(13)11-6-7-11/h2-5,8-9,11H,6-7,15H2,1H3
InChIKeyHQSUUZQHMIYEGJ-UHFFFAOYSA-N
XLogP2.36
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-aminoethyl)-2-cyclopropylisoquinolin-1-one?
The IUPAC name of 3-(1-aminoethyl)-2-cyclopropylisoquinolin-1-one (CID 175300305) is 3-(1-aminoethyl)-2-cyclopropylisoquinolin-1-one.
What is the SMILES notation for 3-(1-aminoethyl)-2-cyclopropylisoquinolin-1-one?
The canonical SMILES for 3-(1-aminoethyl)-2-cyclopropylisoquinolin-1-one is CC(N)c1cc2ccccc2c(=O)n1C1CC1.
What is the InChIKey of 3-(1-aminoethyl)-2-cyclopropylisoquinolin-1-one?
The InChIKey is HQSUUZQHMIYEGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-9(15)13-8-10-4-2-3-5-12(10)14(17)16(13)11-6-7-11/h2-5,8-9,11H,6-7,15H2,1H3.
What are the key properties of 3-(1-aminoethyl)-2-cyclopropylisoquinolin-1-one?
3-(1-aminoethyl)-2-cyclopropylisoquinolin-1-one has a molecular weight of 228.30 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminoethyl)-2-cyclopropylisoquinolin-1-one is sourced from PubChem (CID 175300305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).