ethane;1-(8-propylisoquinolin-4-yl)-1,3-diazinane-2,4-dione

C18H23N3O2 — CID 163252856

IUPACethane;1-(8-propylisoquinolin-4-yl)-1,3-diazinane-2,4-dione
SMILESCC.CCCc1cccc2c(N3CCC(=O)NC3=O)cncc12
InChIInChI=1S/C16H17N3O2.C2H6/c1-2-4-11-5-3-6-12-13(11)9-17-10-14(12)19-8-7-15(20)18-16(19)21;1-2/h3,5-6,9-10H,2,4,7-8H2,1H3,(H,18,20,21);1-2H3
InChIKeyNADKLIQRUQQLLB-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.66
Rot. Bonds3

About ethane;1-(8-propylisoquinolin-4-yl)-1,3-diazinane-2,4-dione

ethane;1-(8-propylisoquinolin-4-yl)-1,3-diazinane-2,4-dione (PubChem CID 163252856) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is ethane;1-(8-propylisoquinolin-4-yl)-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Nameethane;1-(8-propylisoquinolin-4-yl)-1,3-diazinane-2,4-dione
PubChem CID163252856
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Nameethane;1-(8-propylisoquinolin-4-yl)-1,3-diazinane-2,4-dione
SMILESCC.CCCc1cccc2c(N3CCC(=O)NC3=O)cncc12
InChIInChI=1S/C16H17N3O2.C2H6/c1-2-4-11-5-3-6-12-13(11)9-17-10-14(12)19-8-7-15(20)18-16(19)21;1-2/h3,5-6,9-10H,2,4,7-8H2,1H3,(H,18,20,21);1-2H3
InChIKeyNADKLIQRUQQLLB-UHFFFAOYSA-N
XLogP3.66
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;1-(8-propylisoquinolin-4-yl)-1,3-diazinane-2,4-dione?
The IUPAC name of ethane;1-(8-propylisoquinolin-4-yl)-1,3-diazinane-2,4-dione (CID 163252856) is ethane;1-(8-propylisoquinolin-4-yl)-1,3-diazinane-2,4-dione.
What is the SMILES notation for ethane;1-(8-propylisoquinolin-4-yl)-1,3-diazinane-2,4-dione?
The canonical SMILES for ethane;1-(8-propylisoquinolin-4-yl)-1,3-diazinane-2,4-dione is CC.CCCc1cccc2c(N3CCC(=O)NC3=O)cncc12.
What is the InChIKey of ethane;1-(8-propylisoquinolin-4-yl)-1,3-diazinane-2,4-dione?
The InChIKey is NADKLIQRUQQLLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2.C2H6/c1-2-4-11-5-3-6-12-13(11)9-17-10-14(12)19-8-7-15(20)18-16(19)21;1-2/h3,5-6,9-10H,2,4,7-8H2,1H3,(H,18,20,21);1-2H3.
What are the key properties of ethane;1-(8-propylisoquinolin-4-yl)-1,3-diazinane-2,4-dione?
ethane;1-(8-propylisoquinolin-4-yl)-1,3-diazinane-2,4-dione has a molecular weight of 313.40 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(8-propylisoquinolin-4-yl)-1,3-diazinane-2,4-dione is sourced from PubChem (CID 163252856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).