3-amino-2-[1-(furan-2-yl)propan-2-yl]isoquinolin-1-one

C16H16N2O2 — CID 61472681

IUPAC3-amino-2-[1-(furan-2-yl)propan-2-yl]isoquinolin-1-one
SMILESCC(Cc1ccco1)n1c(N)cc2ccccc2c1=O
InChIInChI=1S/C16H16N2O2/c1-11(9-13-6-4-8-20-13)18-15(17)10-12-5-2-3-7-14(12)16(18)19/h2-8,10-11H,9,17H2,1H3
InChIKeyGNGGPYAXVDUPBN-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.98
Rot. Bonds3

About 3-amino-2-[1-(furan-2-yl)propan-2-yl]isoquinolin-1-one

3-amino-2-[1-(furan-2-yl)propan-2-yl]isoquinolin-1-one (PubChem CID 61472681) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 3-amino-2-[1-(furan-2-yl)propan-2-yl]isoquinolin-1-one.

Molecular Properties

Compound Name3-amino-2-[1-(furan-2-yl)propan-2-yl]isoquinolin-1-one
PubChem CID61472681
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name3-amino-2-[1-(furan-2-yl)propan-2-yl]isoquinolin-1-one
SMILESCC(Cc1ccco1)n1c(N)cc2ccccc2c1=O
InChIInChI=1S/C16H16N2O2/c1-11(9-13-6-4-8-20-13)18-15(17)10-12-5-2-3-7-14(12)16(18)19/h2-8,10-11H,9,17H2,1H3
InChIKeyGNGGPYAXVDUPBN-UHFFFAOYSA-N
XLogP2.98
TPSA61.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-amino-2-[1-(furan-2-yl)propan-2-yl]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-(1-phenylpropan-2-yl)isoquinolin-1-one
CID 63011125
3-amino-2-hexan-2-ylisoquinolin-1-one
CID 55049824
3-amino-2-(4-methylpent-1-yn-3-yl)isoquinolin-1-one
CID 114202492
4-chloro-1-[1-(furan-2-yl)propan-2-yl]benzimidazol-2-amine
CID 104836966
1-[1-(furan-2-yl)propan-2-yl]-6-hydroxy-5-methylpyrimidine-2,4-dione
CID 112599751
4-[1-(furan-2-yl)propan-2-yl]piperazine-2,6-dione
CID 63789266
(5E)-5-(anthracen-9-ylmethylidene)-1-(furan-2-ylmethyl)-3-propan-2-yl-1,3-diazinane-2,4,6-trione
CID 99902183
2-chloro-1-[1-[1-(furan-2-yl)propan-2-yl]-2,5-dimethylpyrrol-3-yl]ethanone
CID 61472311
3-amino-2-pentylisoquinolin-1-one
CID 43162648
5,7-difluoro-3-[1-(furan-2-yl)propan-2-yl]-1H-benzimidazole-2-thione
CID 115508228
5-chloro-2-(chloromethyl)-1-[1-(furan-2-yl)propan-2-yl]benzimidazole
CID 61472347
2-(furan-2-yl)ethane-1,1-diol
CID 156698008

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[1-(furan-2-yl)propan-2-yl]isoquinolin-1-one?
The IUPAC name of 3-amino-2-[1-(furan-2-yl)propan-2-yl]isoquinolin-1-one (CID 61472681) is 3-amino-2-[1-(furan-2-yl)propan-2-yl]isoquinolin-1-one.
What is the SMILES notation for 3-amino-2-[1-(furan-2-yl)propan-2-yl]isoquinolin-1-one?
The canonical SMILES for 3-amino-2-[1-(furan-2-yl)propan-2-yl]isoquinolin-1-one is CC(Cc1ccco1)n1c(N)cc2ccccc2c1=O.
What is the InChIKey of 3-amino-2-[1-(furan-2-yl)propan-2-yl]isoquinolin-1-one?
The InChIKey is GNGGPYAXVDUPBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-11(9-13-6-4-8-20-13)18-15(17)10-12-5-2-3-7-14(12)16(18)19/h2-8,10-11H,9,17H2,1H3.
What are the key properties of 3-amino-2-[1-(furan-2-yl)propan-2-yl]isoquinolin-1-one?
3-amino-2-[1-(furan-2-yl)propan-2-yl]isoquinolin-1-one has a molecular weight of 268.32 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[1-(furan-2-yl)propan-2-yl]isoquinolin-1-one is sourced from PubChem (CID 61472681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).