1-butyl-7,8-dihydro-6H-quinoline-2,5-dione

C13H17NO2 — CID 19985996

IUPAC1-butyl-7,8-dihydro-6H-quinoline-2,5-dione
SMILESCCCCn1c2c(ccc1=O)C(=O)CCC2
InChIInChI=1S/C13H17NO2/c1-2-3-9-14-11-5-4-6-12(15)10(11)7-8-13(14)16/h7-8H,2-6,9H2,1H3
InChIKeyIUGSCASEALXJDU-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.17
Rot. Bonds3

About 1-butyl-7,8-dihydro-6H-quinoline-2,5-dione

1-butyl-7,8-dihydro-6H-quinoline-2,5-dione (PubChem CID 19985996) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 1-butyl-7,8-dihydro-6H-quinoline-2,5-dione.

Molecular Properties

Compound Name1-butyl-7,8-dihydro-6H-quinoline-2,5-dione
PubChem CID19985996
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name1-butyl-7,8-dihydro-6H-quinoline-2,5-dione
SMILESCCCCn1c2c(ccc1=O)C(=O)CCC2
InChIInChI=1S/C13H17NO2/c1-2-3-9-14-11-5-4-6-12(15)10(11)7-8-13(14)16/h7-8H,2-6,9H2,1H3
InChIKeyIUGSCASEALXJDU-UHFFFAOYSA-N
XLogP2.17
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-butyl-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-butyl-7,8-dihydro-6H-quinoline-2,5-dione?
The IUPAC name of 1-butyl-7,8-dihydro-6H-quinoline-2,5-dione (CID 19985996) is 1-butyl-7,8-dihydro-6H-quinoline-2,5-dione.
What is the SMILES notation for 1-butyl-7,8-dihydro-6H-quinoline-2,5-dione?
The canonical SMILES for 1-butyl-7,8-dihydro-6H-quinoline-2,5-dione is CCCCn1c2c(ccc1=O)C(=O)CCC2.
What is the InChIKey of 1-butyl-7,8-dihydro-6H-quinoline-2,5-dione?
The InChIKey is IUGSCASEALXJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-2-3-9-14-11-5-4-6-12(15)10(11)7-8-13(14)16/h7-8H,2-6,9H2,1H3.
What are the key properties of 1-butyl-7,8-dihydro-6H-quinoline-2,5-dione?
1-butyl-7,8-dihydro-6H-quinoline-2,5-dione has a molecular weight of 219.28 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-7,8-dihydro-6H-quinoline-2,5-dione is sourced from PubChem (CID 19985996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).