3-[(1-methyl-2-oxoquinolin-3-yl)methyl]-5-(oxolan-3-yl)-1,3-diazinane-2,4-dione

C19H21N3O4 — CID 167803287

IUPAC3-[(1-methyl-2-oxoquinolin-3-yl)methyl]-5-(oxolan-3-yl)-1,3-diazinane-2,4-dione
SMILESCn1c(=O)c(CN2C(=O)NCC(C3CCOC3)C2=O)cc2ccccc21
InChIInChI=1S/C19H21N3O4/c1-21-16-5-3-2-4-12(16)8-14(17(21)23)10-22-18(24)15(9-20-19(22)25)13-6-7-26-11-13/h2-5,8,13,15H,6-7,9-11H2,1H3,(H,20,25)
InChIKeyNXOQVDXDFMMIQK-UHFFFAOYSA-N
MW355.39 g/mol
LogP1.24
Rot. Bonds3

About 3-[(1-methyl-2-oxoquinolin-3-yl)methyl]-5-(oxolan-3-yl)-1,3-diazinane-2,4-dione

3-[(1-methyl-2-oxoquinolin-3-yl)methyl]-5-(oxolan-3-yl)-1,3-diazinane-2,4-dione (PubChem CID 167803287) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is 3-[(1-methyl-2-oxoquinolin-3-yl)methyl]-5-(oxolan-3-yl)-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name3-[(1-methyl-2-oxoquinolin-3-yl)methyl]-5-(oxolan-3-yl)-1,3-diazinane-2,4-dione
PubChem CID167803287
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Name3-[(1-methyl-2-oxoquinolin-3-yl)methyl]-5-(oxolan-3-yl)-1,3-diazinane-2,4-dione
SMILESCn1c(=O)c(CN2C(=O)NCC(C3CCOC3)C2=O)cc2ccccc21
InChIInChI=1S/C19H21N3O4/c1-21-16-5-3-2-4-12(16)8-14(17(21)23)10-22-18(24)15(9-20-19(22)25)13-6-7-26-11-13/h2-5,8,13,15H,6-7,9-11H2,1H3,(H,20,25)
InChIKeyNXOQVDXDFMMIQK-UHFFFAOYSA-N
XLogP1.24
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[(1-methyl-2-oxoquinolin-3-yl)methyl]-5-(oxolan-3-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 3-[(1-methyl-2-oxoquinolin-3-yl)methyl]-5-(oxolan-3-yl)-1,3-diazinane-2,4-dione?
The IUPAC name of 3-[(1-methyl-2-oxoquinolin-3-yl)methyl]-5-(oxolan-3-yl)-1,3-diazinane-2,4-dione (CID 167803287) is 3-[(1-methyl-2-oxoquinolin-3-yl)methyl]-5-(oxolan-3-yl)-1,3-diazinane-2,4-dione.
What is the SMILES notation for 3-[(1-methyl-2-oxoquinolin-3-yl)methyl]-5-(oxolan-3-yl)-1,3-diazinane-2,4-dione?
The canonical SMILES for 3-[(1-methyl-2-oxoquinolin-3-yl)methyl]-5-(oxolan-3-yl)-1,3-diazinane-2,4-dione is Cn1c(=O)c(CN2C(=O)NCC(C3CCOC3)C2=O)cc2ccccc21.
What is the InChIKey of 3-[(1-methyl-2-oxoquinolin-3-yl)methyl]-5-(oxolan-3-yl)-1,3-diazinane-2,4-dione?
The InChIKey is NXOQVDXDFMMIQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-21-16-5-3-2-4-12(16)8-14(17(21)23)10-22-18(24)15(9-20-19(22)25)13-6-7-26-11-13/h2-5,8,13,15H,6-7,9-11H2,1H3,(H,20,25).
What are the key properties of 3-[(1-methyl-2-oxoquinolin-3-yl)methyl]-5-(oxolan-3-yl)-1,3-diazinane-2,4-dione?
3-[(1-methyl-2-oxoquinolin-3-yl)methyl]-5-(oxolan-3-yl)-1,3-diazinane-2,4-dione has a molecular weight of 355.39 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methyl-2-oxoquinolin-3-yl)methyl]-5-(oxolan-3-yl)-1,3-diazinane-2,4-dione is sourced from PubChem (CID 167803287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).