3-amino-2-[(1-ethylcyclopropyl)methyl]isoquinolin-1-one

C15H18N2O — CID 114101614

IUPAC3-amino-2-[(1-ethylcyclopropyl)methyl]isoquinolin-1-one
SMILESCCC1(Cn2c(N)cc3ccccc3c2=O)CC1
InChIInChI=1S/C15H18N2O/c1-2-15(7-8-15)10-17-13(16)9-11-5-3-4-6-12(11)14(17)18/h3-6,9H,2,7-8,10,16H2,1H3
InChIKeyLBLYMJZDVJJGNE-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.77
Rot. Bonds3

About 3-amino-2-[(1-ethylcyclopropyl)methyl]isoquinolin-1-one

3-amino-2-[(1-ethylcyclopropyl)methyl]isoquinolin-1-one (PubChem CID 114101614) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 3-amino-2-[(1-ethylcyclopropyl)methyl]isoquinolin-1-one.

Molecular Properties

Compound Name3-amino-2-[(1-ethylcyclopropyl)methyl]isoquinolin-1-one
PubChem CID114101614
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name3-amino-2-[(1-ethylcyclopropyl)methyl]isoquinolin-1-one
SMILESCCC1(Cn2c(N)cc3ccccc3c2=O)CC1
InChIInChI=1S/C15H18N2O/c1-2-15(7-8-15)10-17-13(16)9-11-5-3-4-6-12(11)14(17)18/h3-6,9H,2,7-8,10,16H2,1H3
InChIKeyLBLYMJZDVJJGNE-UHFFFAOYSA-N
XLogP2.77
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-amino-2-[(1-ethylcyclopropyl)methyl]isoquinolin-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-2-pentylisoquinolin-1-one
CID 43162648
3-amino-2-[2-(diethylamino)ethyl]isoquinolin-1-one
CID 43341001
3-amino-2-[(3-methylphenyl)methyl]isoquinolin-1-one
CID 60902327
3-amino-2-[(2-bromophenyl)methyl]isoquinolin-1-one
CID 61414104
2-(3-amino-1-oxoisoquinolin-2-yl)ethyl carbamate
CID 83203935
3-amino-2-[2-(trifluoromethylsulfanyl)ethyl]isoquinolin-1-one
CID 106432222
3-amino-2-[(1,1-dioxothiolan-2-yl)methyl]isoquinolin-1-one
CID 81039820
3-amino-2-hexan-2-ylisoquinolin-1-one
CID 55049824
2-ethyl-3-methylsulfanylisoquinolin-1-one
CID 12593115
3-amino-2-(1-phenylpropan-2-yl)isoquinolin-1-one
CID 63011125
3-amino-2-(2,3-dihydro-1H-inden-2-yl)isoquinolin-1-one
CID 107853582
3-phenyl-2-propylisoquinolin-1-one
CID 102338692

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[(1-ethylcyclopropyl)methyl]isoquinolin-1-one?
The IUPAC name of 3-amino-2-[(1-ethylcyclopropyl)methyl]isoquinolin-1-one (CID 114101614) is 3-amino-2-[(1-ethylcyclopropyl)methyl]isoquinolin-1-one.
What is the SMILES notation for 3-amino-2-[(1-ethylcyclopropyl)methyl]isoquinolin-1-one?
The canonical SMILES for 3-amino-2-[(1-ethylcyclopropyl)methyl]isoquinolin-1-one is CCC1(Cn2c(N)cc3ccccc3c2=O)CC1.
What is the InChIKey of 3-amino-2-[(1-ethylcyclopropyl)methyl]isoquinolin-1-one?
The InChIKey is LBLYMJZDVJJGNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-2-15(7-8-15)10-17-13(16)9-11-5-3-4-6-12(11)14(17)18/h3-6,9H,2,7-8,10,16H2,1H3.
What are the key properties of 3-amino-2-[(1-ethylcyclopropyl)methyl]isoquinolin-1-one?
3-amino-2-[(1-ethylcyclopropyl)methyl]isoquinolin-1-one has a molecular weight of 242.32 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[(1-ethylcyclopropyl)methyl]isoquinolin-1-one is sourced from PubChem (CID 114101614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).