1,4,7,7-tetramethyl-6,8-dihydroquinoline-2,5-dione

C13H17NO2 — CID 2728741

IUPAC1,4,7,7-tetramethyl-6,8-dihydroquinoline-2,5-dione
SMILESCc1cc(=O)n(C)c2c1C(=O)CC(C)(C)C2
InChIInChI=1S/C13H17NO2/c1-8-5-11(16)14(4)9-6-13(2,3)7-10(15)12(8)9/h5H,6-7H2,1-4H3
InChIKeyCUOFOOXPBDHMIK-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.85
Rot. Bonds

About 1,4,7,7-tetramethyl-6,8-dihydroquinoline-2,5-dione

1,4,7,7-tetramethyl-6,8-dihydroquinoline-2,5-dione (PubChem CID 2728741) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 1,4,7,7-tetramethyl-6,8-dihydroquinoline-2,5-dione.

Molecular Properties

Compound Name1,4,7,7-tetramethyl-6,8-dihydroquinoline-2,5-dione
PubChem CID2728741
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name1,4,7,7-tetramethyl-6,8-dihydroquinoline-2,5-dione
SMILESCc1cc(=O)n(C)c2c1C(=O)CC(C)(C)C2
InChIInChI=1S/C13H17NO2/c1-8-5-11(16)14(4)9-6-13(2,3)7-10(15)12(8)9/h5H,6-7H2,1-4H3
InChIKeyCUOFOOXPBDHMIK-UHFFFAOYSA-N
XLogP1.85
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,4,7,7-tetramethyl-6,8-dihydroquinoline-2,5-dione?
The IUPAC name of 1,4,7,7-tetramethyl-6,8-dihydroquinoline-2,5-dione (CID 2728741) is 1,4,7,7-tetramethyl-6,8-dihydroquinoline-2,5-dione.
What is the SMILES notation for 1,4,7,7-tetramethyl-6,8-dihydroquinoline-2,5-dione?
The canonical SMILES for 1,4,7,7-tetramethyl-6,8-dihydroquinoline-2,5-dione is Cc1cc(=O)n(C)c2c1C(=O)CC(C)(C)C2.
What is the InChIKey of 1,4,7,7-tetramethyl-6,8-dihydroquinoline-2,5-dione?
The InChIKey is CUOFOOXPBDHMIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-8-5-11(16)14(4)9-6-13(2,3)7-10(15)12(8)9/h5H,6-7H2,1-4H3.
What are the key properties of 1,4,7,7-tetramethyl-6,8-dihydroquinoline-2,5-dione?
1,4,7,7-tetramethyl-6,8-dihydroquinoline-2,5-dione has a molecular weight of 219.28 g/mol, XLogP of 1.85, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,7,7-tetramethyl-6,8-dihydroquinoline-2,5-dione is sourced from PubChem (CID 2728741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).