6-methyl-4-(2,3,4-trimethoxyphenyl)-3,4-dihydropyrano[3,2-c]quinoline-2,5-dione

C22H21NO6 — CID 4974312

IUPAC6-methyl-4-(2,3,4-trimethoxyphenyl)-3,4-dihydropyrano[3,2-c]quinoline-2,5-dione
SMILESCOc1ccc(C2CC(=O)Oc3c2c(=O)n(C)c2ccccc32)c(OC)c1OC
InChIInChI=1S/C22H21NO6/c1-23-15-8-6-5-7-13(15)19-18(22(23)25)14(11-17(24)29-19)12-9-10-16(26-2)21(28-4)20(12)27-3/h5-10,14H,11H2,1-4H3
InChIKeyCNMMWSVGZBGGLV-UHFFFAOYSA-N
MW395.41 g/mol
LogP3.01
Rot. Bonds4

About 6-methyl-4-(2,3,4-trimethoxyphenyl)-3,4-dihydropyrano[3,2-c]quinoline-2,5-dione

6-methyl-4-(2,3,4-trimethoxyphenyl)-3,4-dihydropyrano[3,2-c]quinoline-2,5-dione (PubChem CID 4974312) has the molecular formula C22H21NO6 and a molecular weight of 395.41 g/mol. Its IUPAC name is 6-methyl-4-(2,3,4-trimethoxyphenyl)-3,4-dihydropyrano[3,2-c]quinoline-2,5-dione.

Molecular Properties

Compound Name6-methyl-4-(2,3,4-trimethoxyphenyl)-3,4-dihydropyrano[3,2-c]quinoline-2,5-dione
PubChem CID4974312
Molecular FormulaC22H21NO6
Molecular Weight395.41 g/mol
Exact Mass395.14
IUPAC Name6-methyl-4-(2,3,4-trimethoxyphenyl)-3,4-dihydropyrano[3,2-c]quinoline-2,5-dione
SMILESCOc1ccc(C2CC(=O)Oc3c2c(=O)n(C)c2ccccc32)c(OC)c1OC
InChIInChI=1S/C22H21NO6/c1-23-15-8-6-5-7-13(15)19-18(22(23)25)14(11-17(24)29-19)12-9-10-16(26-2)21(28-4)20(12)27-3/h5-10,14H,11H2,1-4H3
InChIKeyCNMMWSVGZBGGLV-UHFFFAOYSA-N
XLogP3.01
TPSA75.99 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.41
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-(2,3,4-trimethoxyphenyl)-3,4-dihydropyrano[3,2-c]quinoline-2,5-dione?
The IUPAC name of 6-methyl-4-(2,3,4-trimethoxyphenyl)-3,4-dihydropyrano[3,2-c]quinoline-2,5-dione (CID 4974312) is 6-methyl-4-(2,3,4-trimethoxyphenyl)-3,4-dihydropyrano[3,2-c]quinoline-2,5-dione.
What is the SMILES notation for 6-methyl-4-(2,3,4-trimethoxyphenyl)-3,4-dihydropyrano[3,2-c]quinoline-2,5-dione?
The canonical SMILES for 6-methyl-4-(2,3,4-trimethoxyphenyl)-3,4-dihydropyrano[3,2-c]quinoline-2,5-dione is COc1ccc(C2CC(=O)Oc3c2c(=O)n(C)c2ccccc32)c(OC)c1OC.
What is the InChIKey of 6-methyl-4-(2,3,4-trimethoxyphenyl)-3,4-dihydropyrano[3,2-c]quinoline-2,5-dione?
The InChIKey is CNMMWSVGZBGGLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO6/c1-23-15-8-6-5-7-13(15)19-18(22(23)25)14(11-17(24)29-19)12-9-10-16(26-2)21(28-4)20(12)27-3/h5-10,14H,11H2,1-4H3.
What are the key properties of 6-methyl-4-(2,3,4-trimethoxyphenyl)-3,4-dihydropyrano[3,2-c]quinoline-2,5-dione?
6-methyl-4-(2,3,4-trimethoxyphenyl)-3,4-dihydropyrano[3,2-c]quinoline-2,5-dione has a molecular weight of 395.41 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-(2,3,4-trimethoxyphenyl)-3,4-dihydropyrano[3,2-c]quinoline-2,5-dione is sourced from PubChem (CID 4974312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).