6-(cyclopropylamino)-2-methylisoquinolin-1-one

C13H14N2O — CID 20800084

IUPAC6-(cyclopropylamino)-2-methylisoquinolin-1-one
SMILESCn1ccc2cc(NC3CC3)ccc2c1=O
InChIInChI=1S/C13H14N2O/c1-15-7-6-9-8-11(14-10-2-3-10)4-5-12(9)13(15)16/h4-8,10,14H,2-3H2,1H3
InChIKeyNIPOFSZISVRMCQ-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.11
Rot. Bonds2

About 6-(cyclopropylamino)-2-methylisoquinolin-1-one

6-(cyclopropylamino)-2-methylisoquinolin-1-one (PubChem CID 20800084) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 6-(cyclopropylamino)-2-methylisoquinolin-1-one.

Molecular Properties

Compound Name6-(cyclopropylamino)-2-methylisoquinolin-1-one
PubChem CID20800084
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name6-(cyclopropylamino)-2-methylisoquinolin-1-one
SMILESCn1ccc2cc(NC3CC3)ccc2c1=O
InChIInChI=1S/C13H14N2O/c1-15-7-6-9-8-11(14-10-2-3-10)4-5-12(9)13(15)16/h4-8,10,14H,2-3H2,1H3
InChIKeyNIPOFSZISVRMCQ-UHFFFAOYSA-N
XLogP2.11
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropylamino)-2-methylisoquinolin-1-one?
The IUPAC name of 6-(cyclopropylamino)-2-methylisoquinolin-1-one (CID 20800084) is 6-(cyclopropylamino)-2-methylisoquinolin-1-one.
What is the SMILES notation for 6-(cyclopropylamino)-2-methylisoquinolin-1-one?
The canonical SMILES for 6-(cyclopropylamino)-2-methylisoquinolin-1-one is Cn1ccc2cc(NC3CC3)ccc2c1=O.
What is the InChIKey of 6-(cyclopropylamino)-2-methylisoquinolin-1-one?
The InChIKey is NIPOFSZISVRMCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-15-7-6-9-8-11(14-10-2-3-10)4-5-12(9)13(15)16/h4-8,10,14H,2-3H2,1H3.
What are the key properties of 6-(cyclopropylamino)-2-methylisoquinolin-1-one?
6-(cyclopropylamino)-2-methylisoquinolin-1-one has a molecular weight of 214.27 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropylamino)-2-methylisoquinolin-1-one is sourced from PubChem (CID 20800084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).