4,6-dimethyl-3,4,4a,10b-tetrahydropyrano[3,2-c]quinoline-2,5-dione

C14H15NO3 — CID 3677244

IUPAC4,6-dimethyl-3,4,4a,10b-tetrahydropyrano[3,2-c]quinoline-2,5-dione
SMILESCC1CC(=O)OC2c3ccccc3N(C)C(=O)C12
InChIInChI=1S/C14H15NO3/c1-8-7-11(16)18-13-9-5-3-4-6-10(9)15(2)14(17)12(8)13/h3-6,8,12-13H,7H2,1-2H3
InChIKeyWRTVEOAYIDZVRA-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.90
Rot. Bonds

About 4,6-dimethyl-3,4,4a,10b-tetrahydropyrano[3,2-c]quinoline-2,5-dione

4,6-dimethyl-3,4,4a,10b-tetrahydropyrano[3,2-c]quinoline-2,5-dione (PubChem CID 3677244) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 4,6-dimethyl-3,4,4a,10b-tetrahydropyrano[3,2-c]quinoline-2,5-dione.

Molecular Properties

Compound Name4,6-dimethyl-3,4,4a,10b-tetrahydropyrano[3,2-c]quinoline-2,5-dione
PubChem CID3677244
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name4,6-dimethyl-3,4,4a,10b-tetrahydropyrano[3,2-c]quinoline-2,5-dione
SMILESCC1CC(=O)OC2c3ccccc3N(C)C(=O)C12
InChIInChI=1S/C14H15NO3/c1-8-7-11(16)18-13-9-5-3-4-6-10(9)15(2)14(17)12(8)13/h3-6,8,12-13H,7H2,1-2H3
InChIKeyWRTVEOAYIDZVRA-UHFFFAOYSA-N
XLogP1.90
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-3,4,4a,10b-tetrahydropyrano[3,2-c]quinoline-2,5-dione?
The IUPAC name of 4,6-dimethyl-3,4,4a,10b-tetrahydropyrano[3,2-c]quinoline-2,5-dione (CID 3677244) is 4,6-dimethyl-3,4,4a,10b-tetrahydropyrano[3,2-c]quinoline-2,5-dione.
What is the SMILES notation for 4,6-dimethyl-3,4,4a,10b-tetrahydropyrano[3,2-c]quinoline-2,5-dione?
The canonical SMILES for 4,6-dimethyl-3,4,4a,10b-tetrahydropyrano[3,2-c]quinoline-2,5-dione is CC1CC(=O)OC2c3ccccc3N(C)C(=O)C12.
What is the InChIKey of 4,6-dimethyl-3,4,4a,10b-tetrahydropyrano[3,2-c]quinoline-2,5-dione?
The InChIKey is WRTVEOAYIDZVRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-8-7-11(16)18-13-9-5-3-4-6-10(9)15(2)14(17)12(8)13/h3-6,8,12-13H,7H2,1-2H3.
What are the key properties of 4,6-dimethyl-3,4,4a,10b-tetrahydropyrano[3,2-c]quinoline-2,5-dione?
4,6-dimethyl-3,4,4a,10b-tetrahydropyrano[3,2-c]quinoline-2,5-dione has a molecular weight of 245.28 g/mol, XLogP of 1.90, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-3,4,4a,10b-tetrahydropyrano[3,2-c]quinoline-2,5-dione is sourced from PubChem (CID 3677244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).