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

C12H15NO2 — CID 10104400

IUPAC1-propan-2-yl-7,8-dihydro-6H-quinoline-2,5-dione
SMILESCC(C)n1c2c(ccc1=O)C(=O)CCC2
InChIInChI=1S/C12H15NO2/c1-8(2)13-10-4-3-5-11(14)9(10)6-7-12(13)15/h6-8H,3-5H2,1-2H3
InChIKeyKPPWJBNONDWUOG-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.95
Rot. Bonds1

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

1-propan-2-yl-7,8-dihydro-6H-quinoline-2,5-dione (PubChem CID 10104400) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 1-propan-2-yl-7,8-dihydro-6H-quinoline-2,5-dione.

Molecular Properties

Compound Name1-propan-2-yl-7,8-dihydro-6H-quinoline-2,5-dione
PubChem CID10104400
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name1-propan-2-yl-7,8-dihydro-6H-quinoline-2,5-dione
SMILESCC(C)n1c2c(ccc1=O)C(=O)CCC2
InChIInChI=1S/C12H15NO2/c1-8(2)13-10-4-3-5-11(14)9(10)6-7-12(13)15/h6-8H,3-5H2,1-2H3
InChIKeyKPPWJBNONDWUOG-UHFFFAOYSA-N
XLogP1.95
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-7,8-dihydro-6H-quinoline-2,5-dione?
The IUPAC name of 1-propan-2-yl-7,8-dihydro-6H-quinoline-2,5-dione (CID 10104400) is 1-propan-2-yl-7,8-dihydro-6H-quinoline-2,5-dione.
What is the SMILES notation for 1-propan-2-yl-7,8-dihydro-6H-quinoline-2,5-dione?
The canonical SMILES for 1-propan-2-yl-7,8-dihydro-6H-quinoline-2,5-dione is CC(C)n1c2c(ccc1=O)C(=O)CCC2.
What is the InChIKey of 1-propan-2-yl-7,8-dihydro-6H-quinoline-2,5-dione?
The InChIKey is KPPWJBNONDWUOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-8(2)13-10-4-3-5-11(14)9(10)6-7-12(13)15/h6-8H,3-5H2,1-2H3.
What are the key properties of 1-propan-2-yl-7,8-dihydro-6H-quinoline-2,5-dione?
1-propan-2-yl-7,8-dihydro-6H-quinoline-2,5-dione has a molecular weight of 205.26 g/mol, XLogP of 1.95, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-7,8-dihydro-6H-quinoline-2,5-dione is sourced from PubChem (CID 10104400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).