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

C21H19NO4 — CID 4920671

IUPAC4-(2-ethoxyphenyl)-6-methyl-3,4-dihydropyrano[3,2-c]quinoline-2,5-dione
SMILESCCOc1ccccc1C1CC(=O)Oc2c1c(=O)n(C)c1ccccc21
InChIInChI=1S/C21H19NO4/c1-3-25-17-11-7-5-8-13(17)15-12-18(23)26-20-14-9-4-6-10-16(14)22(2)21(24)19(15)20/h4-11,15H,3,12H2,1-2H3
InChIKeyUBUCRQPAIDMONG-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.38
Rot. Bonds3

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

4-(2-ethoxyphenyl)-6-methyl-3,4-dihydropyrano[3,2-c]quinoline-2,5-dione (PubChem CID 4920671) has the molecular formula C21H19NO4 and a molecular weight of 349.39 g/mol. Its IUPAC name is 4-(2-ethoxyphenyl)-6-methyl-3,4-dihydropyrano[3,2-c]quinoline-2,5-dione.

Molecular Properties

Compound Name4-(2-ethoxyphenyl)-6-methyl-3,4-dihydropyrano[3,2-c]quinoline-2,5-dione
PubChem CID4920671
Molecular FormulaC21H19NO4
Molecular Weight349.39 g/mol
Exact Mass349.13
IUPAC Name4-(2-ethoxyphenyl)-6-methyl-3,4-dihydropyrano[3,2-c]quinoline-2,5-dione
SMILESCCOc1ccccc1C1CC(=O)Oc2c1c(=O)n(C)c1ccccc21
InChIInChI=1S/C21H19NO4/c1-3-25-17-11-7-5-8-13(17)15-12-18(23)26-20-14-9-4-6-10-16(14)22(2)21(24)19(15)20/h4-11,15H,3,12H2,1-2H3
InChIKeyUBUCRQPAIDMONG-UHFFFAOYSA-N
XLogP3.38
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxyphenyl)-6-methyl-3,4-dihydropyrano[3,2-c]quinoline-2,5-dione?
The IUPAC name of 4-(2-ethoxyphenyl)-6-methyl-3,4-dihydropyrano[3,2-c]quinoline-2,5-dione (CID 4920671) is 4-(2-ethoxyphenyl)-6-methyl-3,4-dihydropyrano[3,2-c]quinoline-2,5-dione.
What is the SMILES notation for 4-(2-ethoxyphenyl)-6-methyl-3,4-dihydropyrano[3,2-c]quinoline-2,5-dione?
The canonical SMILES for 4-(2-ethoxyphenyl)-6-methyl-3,4-dihydropyrano[3,2-c]quinoline-2,5-dione is CCOc1ccccc1C1CC(=O)Oc2c1c(=O)n(C)c1ccccc21.
What is the InChIKey of 4-(2-ethoxyphenyl)-6-methyl-3,4-dihydropyrano[3,2-c]quinoline-2,5-dione?
The InChIKey is UBUCRQPAIDMONG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO4/c1-3-25-17-11-7-5-8-13(17)15-12-18(23)26-20-14-9-4-6-10-16(14)22(2)21(24)19(15)20/h4-11,15H,3,12H2,1-2H3.
What are the key properties of 4-(2-ethoxyphenyl)-6-methyl-3,4-dihydropyrano[3,2-c]quinoline-2,5-dione?
4-(2-ethoxyphenyl)-6-methyl-3,4-dihydropyrano[3,2-c]quinoline-2,5-dione has a molecular weight of 349.39 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxyphenyl)-6-methyl-3,4-dihydropyrano[3,2-c]quinoline-2,5-dione is sourced from PubChem (CID 4920671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).