1-(1-ethyl-6-methylisoquinolin-5-yl)-1,3-diazinane-2,4-dione

C16H17N3O2 — CID 176559817

IUPAC1-(1-ethyl-6-methylisoquinolin-5-yl)-1,3-diazinane-2,4-dione
SMILESCCc1nccc2c(N3CCC(=O)NC3=O)c(C)ccc12
InChIInChI=1S/C16H17N3O2/c1-3-13-11-5-4-10(2)15(12(11)6-8-17-13)19-9-7-14(20)18-16(19)21/h4-6,8H,3,7,9H2,1-2H3,(H,18,20,21)
InChIKeyCTWZNLUBMBCYOP-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.55
Rot. Bonds2

About 1-(1-ethyl-6-methylisoquinolin-5-yl)-1,3-diazinane-2,4-dione

1-(1-ethyl-6-methylisoquinolin-5-yl)-1,3-diazinane-2,4-dione (PubChem CID 176559817) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 1-(1-ethyl-6-methylisoquinolin-5-yl)-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-(1-ethyl-6-methylisoquinolin-5-yl)-1,3-diazinane-2,4-dione
PubChem CID176559817
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name1-(1-ethyl-6-methylisoquinolin-5-yl)-1,3-diazinane-2,4-dione
SMILESCCc1nccc2c(N3CCC(=O)NC3=O)c(C)ccc12
InChIInChI=1S/C16H17N3O2/c1-3-13-11-5-4-10(2)15(12(11)6-8-17-13)19-9-7-14(20)18-16(19)21/h4-6,8H,3,7,9H2,1-2H3,(H,18,20,21)
InChIKeyCTWZNLUBMBCYOP-UHFFFAOYSA-N
XLogP2.55
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(1-ethyl-6-methylisoquinolin-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

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-6-methylisoquinolin-5-yl)-1,3-diazinane-2,4-dione?
The IUPAC name of 1-(1-ethyl-6-methylisoquinolin-5-yl)-1,3-diazinane-2,4-dione (CID 176559817) is 1-(1-ethyl-6-methylisoquinolin-5-yl)-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-(1-ethyl-6-methylisoquinolin-5-yl)-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-(1-ethyl-6-methylisoquinolin-5-yl)-1,3-diazinane-2,4-dione is CCc1nccc2c(N3CCC(=O)NC3=O)c(C)ccc12.
What is the InChIKey of 1-(1-ethyl-6-methylisoquinolin-5-yl)-1,3-diazinane-2,4-dione?
The InChIKey is CTWZNLUBMBCYOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-3-13-11-5-4-10(2)15(12(11)6-8-17-13)19-9-7-14(20)18-16(19)21/h4-6,8H,3,7,9H2,1-2H3,(H,18,20,21).
What are the key properties of 1-(1-ethyl-6-methylisoquinolin-5-yl)-1,3-diazinane-2,4-dione?
1-(1-ethyl-6-methylisoquinolin-5-yl)-1,3-diazinane-2,4-dione has a molecular weight of 283.33 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-6-methylisoquinolin-5-yl)-1,3-diazinane-2,4-dione is sourced from PubChem (CID 176559817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).