3-(2-methylpropyl)-1,6,7,8-tetrahydroquinoline-2,5-dione

C13H17NO2 — CID 130471182

IUPAC3-(2-methylpropyl)-1,6,7,8-tetrahydroquinoline-2,5-dione
SMILESCC(C)Cc1cc2c([nH]c1=O)CCCC2=O
InChIInChI=1S/C13H17NO2/c1-8(2)6-9-7-10-11(14-13(9)16)4-3-5-12(10)15/h7-8H,3-6H2,1-2H3,(H,14,16)
InChIKeySEJCWCJWAABQOD-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.09
Rot. Bonds2

About 3-(2-methylpropyl)-1,6,7,8-tetrahydroquinoline-2,5-dione

3-(2-methylpropyl)-1,6,7,8-tetrahydroquinoline-2,5-dione (PubChem CID 130471182) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 3-(2-methylpropyl)-1,6,7,8-tetrahydroquinoline-2,5-dione.

Molecular Properties

Compound Name3-(2-methylpropyl)-1,6,7,8-tetrahydroquinoline-2,5-dione
PubChem CID130471182
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name3-(2-methylpropyl)-1,6,7,8-tetrahydroquinoline-2,5-dione
SMILESCC(C)Cc1cc2c([nH]c1=O)CCCC2=O
InChIInChI=1S/C13H17NO2/c1-8(2)6-9-7-10-11(14-13(9)16)4-3-5-12(10)15/h7-8H,3-6H2,1-2H3,(H,14,16)
InChIKeySEJCWCJWAABQOD-UHFFFAOYSA-N
XLogP2.09
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)-1,6,7,8-tetrahydroquinoline-2,5-dione?
The IUPAC name of 3-(2-methylpropyl)-1,6,7,8-tetrahydroquinoline-2,5-dione (CID 130471182) is 3-(2-methylpropyl)-1,6,7,8-tetrahydroquinoline-2,5-dione.
What is the SMILES notation for 3-(2-methylpropyl)-1,6,7,8-tetrahydroquinoline-2,5-dione?
The canonical SMILES for 3-(2-methylpropyl)-1,6,7,8-tetrahydroquinoline-2,5-dione is CC(C)Cc1cc2c([nH]c1=O)CCCC2=O.
What is the InChIKey of 3-(2-methylpropyl)-1,6,7,8-tetrahydroquinoline-2,5-dione?
The InChIKey is SEJCWCJWAABQOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-8(2)6-9-7-10-11(14-13(9)16)4-3-5-12(10)15/h7-8H,3-6H2,1-2H3,(H,14,16).
What are the key properties of 3-(2-methylpropyl)-1,6,7,8-tetrahydroquinoline-2,5-dione?
3-(2-methylpropyl)-1,6,7,8-tetrahydroquinoline-2,5-dione has a molecular weight of 219.28 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)-1,6,7,8-tetrahydroquinoline-2,5-dione is sourced from PubChem (CID 130471182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).