1-(2-methylpropyl)-7,8-dihydro-6H-quinoline-2,5-dione

C13H17NO2 — CID 11775608

IUPAC1-(2-methylpropyl)-7,8-dihydro-6H-quinoline-2,5-dione
SMILESCC(C)Cn1c2c(ccc1=O)C(=O)CCC2
InChIInChI=1S/C13H17NO2/c1-9(2)8-14-11-4-3-5-12(15)10(11)6-7-13(14)16/h6-7,9H,3-5,8H2,1-2H3
InChIKeyLVLNABQWVRXLIR-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.02
Rot. Bonds2

About 1-(2-methylpropyl)-7,8-dihydro-6H-quinoline-2,5-dione

1-(2-methylpropyl)-7,8-dihydro-6H-quinoline-2,5-dione (PubChem CID 11775608) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 1-(2-methylpropyl)-7,8-dihydro-6H-quinoline-2,5-dione.

Molecular Properties

Compound Name1-(2-methylpropyl)-7,8-dihydro-6H-quinoline-2,5-dione
PubChem CID11775608
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name1-(2-methylpropyl)-7,8-dihydro-6H-quinoline-2,5-dione
SMILESCC(C)Cn1c2c(ccc1=O)C(=O)CCC2
InChIInChI=1S/C13H17NO2/c1-9(2)8-14-11-4-3-5-12(15)10(11)6-7-13(14)16/h6-7,9H,3-5,8H2,1-2H3
InChIKeyLVLNABQWVRXLIR-UHFFFAOYSA-N
XLogP2.02
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(2-methylpropyl)-7,8-dihydro-6H-quinoline-2,5-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-(2-methylpropyl)-7,8-dihydro-6H-quinoline-2,5-dione?
The IUPAC name of 1-(2-methylpropyl)-7,8-dihydro-6H-quinoline-2,5-dione (CID 11775608) is 1-(2-methylpropyl)-7,8-dihydro-6H-quinoline-2,5-dione.
What is the SMILES notation for 1-(2-methylpropyl)-7,8-dihydro-6H-quinoline-2,5-dione?
The canonical SMILES for 1-(2-methylpropyl)-7,8-dihydro-6H-quinoline-2,5-dione is CC(C)Cn1c2c(ccc1=O)C(=O)CCC2.
What is the InChIKey of 1-(2-methylpropyl)-7,8-dihydro-6H-quinoline-2,5-dione?
The InChIKey is LVLNABQWVRXLIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-9(2)8-14-11-4-3-5-12(15)10(11)6-7-13(14)16/h6-7,9H,3-5,8H2,1-2H3.
What are the key properties of 1-(2-methylpropyl)-7,8-dihydro-6H-quinoline-2,5-dione?
1-(2-methylpropyl)-7,8-dihydro-6H-quinoline-2,5-dione has a molecular weight of 219.28 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-7,8-dihydro-6H-quinoline-2,5-dione is sourced from PubChem (CID 11775608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).