1-(1-ethylisoquinolin-5-yl)-1,3-diazinane-2,4-dione

C15H15N3O2 — CID 176559772

IUPAC1-(1-ethylisoquinolin-5-yl)-1,3-diazinane-2,4-dione
SMILESCCc1nccc2c(N3CCC(=O)NC3=O)cccc12
InChIInChI=1S/C15H15N3O2/c1-2-12-10-4-3-5-13(11(10)6-8-16-12)18-9-7-14(19)17-15(18)20/h3-6,8H,2,7,9H2,1H3,(H,17,19,20)
InChIKeyGULPTGABLNZCLI-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.24
Rot. Bonds2

About 1-(1-ethylisoquinolin-5-yl)-1,3-diazinane-2,4-dione

1-(1-ethylisoquinolin-5-yl)-1,3-diazinane-2,4-dione (PubChem CID 176559772) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 1-(1-ethylisoquinolin-5-yl)-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-(1-ethylisoquinolin-5-yl)-1,3-diazinane-2,4-dione
PubChem CID176559772
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name1-(1-ethylisoquinolin-5-yl)-1,3-diazinane-2,4-dione
SMILESCCc1nccc2c(N3CCC(=O)NC3=O)cccc12
InChIInChI=1S/C15H15N3O2/c1-2-12-10-4-3-5-13(11(10)6-8-16-12)18-9-7-14(19)17-15(18)20/h3-6,8H,2,7,9H2,1H3,(H,17,19,20)
InChIKeyGULPTGABLNZCLI-UHFFFAOYSA-N
XLogP2.24
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(1-ethylisoquinolin-5-yl)-1,3-diazinane-2,4-dione 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

1-(1-ethyl-6-methylisoquinolin-5-yl)-1,3-diazinane-2,4-dione
CID 176559817
ethane;1-(8-propylisoquinolin-4-yl)-1,3-diazinane-2,4-dione
CID 163252856
1-(2-hydroxyphenyl)-1,3-diazinane-2,4-dione
CID 15060157
1-(1-methylindol-4-yl)-1,3-diazinane-2,4-dione
CID 168870529
1-naphthalen-1-yl-1,4-diazepane-2,5-dione
CID 64956427
1-(2,3-dichlorophenyl)-1,3-diazinane-2,4-dione
CID 79776901
1-pyrimidin-2-yl-1,3-diazinane-2,4-dione
CID 70200878
1-(4-methylazecin-3-yl)-1,3-diazinane-2,4-dione;propane
CID 156858667
1-quinolin-5-yl-1,4-diazepane-2,5-dione
CID 64956527
1-[(3-ethyl-2-pyridinyl)methyl]-1,3-diazinane-2,4-dione
CID 82744396
1-(1-methyl-2-oxo-3-pyridinyl)-1,3-diazinane-2,4-dione
CID 155261434
1-(2-methyl-3-propan-2-ylphenyl)-1,3-diazinane-2,4-dione
CID 170954148

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylisoquinolin-5-yl)-1,3-diazinane-2,4-dione?
The IUPAC name of 1-(1-ethylisoquinolin-5-yl)-1,3-diazinane-2,4-dione (CID 176559772) is 1-(1-ethylisoquinolin-5-yl)-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-(1-ethylisoquinolin-5-yl)-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-(1-ethylisoquinolin-5-yl)-1,3-diazinane-2,4-dione is CCc1nccc2c(N3CCC(=O)NC3=O)cccc12.
What is the InChIKey of 1-(1-ethylisoquinolin-5-yl)-1,3-diazinane-2,4-dione?
The InChIKey is GULPTGABLNZCLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-2-12-10-4-3-5-13(11(10)6-8-16-12)18-9-7-14(19)17-15(18)20/h3-6,8H,2,7,9H2,1H3,(H,17,19,20).
What are the key properties of 1-(1-ethylisoquinolin-5-yl)-1,3-diazinane-2,4-dione?
1-(1-ethylisoquinolin-5-yl)-1,3-diazinane-2,4-dione has a molecular weight of 269.30 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylisoquinolin-5-yl)-1,3-diazinane-2,4-dione is sourced from PubChem (CID 176559772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).