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

C21H19NO3 — CID 4920667

IUPAC4-(4-ethylphenyl)-6-methyl-3,4-dihydropyrano[3,2-c]quinoline-2,5-dione
SMILESCCc1ccc(C2CC(=O)Oc3c2c(=O)n(C)c2ccccc32)cc1
InChIInChI=1S/C21H19NO3/c1-3-13-8-10-14(11-9-13)16-12-18(23)25-20-15-6-4-5-7-17(15)22(2)21(24)19(16)20/h4-11,16H,3,12H2,1-2H3
InChIKeyUJYWORZGPSBWKL-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.54
Rot. Bonds2

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

4-(4-ethylphenyl)-6-methyl-3,4-dihydropyrano[3,2-c]quinoline-2,5-dione (PubChem CID 4920667) has the molecular formula C21H19NO3 and a molecular weight of 333.39 g/mol. Its IUPAC name is 4-(4-ethylphenyl)-6-methyl-3,4-dihydropyrano[3,2-c]quinoline-2,5-dione.

Molecular Properties

Compound Name4-(4-ethylphenyl)-6-methyl-3,4-dihydropyrano[3,2-c]quinoline-2,5-dione
PubChem CID4920667
Molecular FormulaC21H19NO3
Molecular Weight333.39 g/mol
Exact Mass333.14
IUPAC Name4-(4-ethylphenyl)-6-methyl-3,4-dihydropyrano[3,2-c]quinoline-2,5-dione
SMILESCCc1ccc(C2CC(=O)Oc3c2c(=O)n(C)c2ccccc32)cc1
InChIInChI=1S/C21H19NO3/c1-3-13-8-10-14(11-9-13)16-12-18(23)25-20-15-6-4-5-7-17(15)22(2)21(24)19(16)20/h4-11,16H,3,12H2,1-2H3
InChIKeyUJYWORZGPSBWKL-UHFFFAOYSA-N
XLogP3.54
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylphenyl)-6-methyl-3,4-dihydropyrano[3,2-c]quinoline-2,5-dione?
The IUPAC name of 4-(4-ethylphenyl)-6-methyl-3,4-dihydropyrano[3,2-c]quinoline-2,5-dione (CID 4920667) is 4-(4-ethylphenyl)-6-methyl-3,4-dihydropyrano[3,2-c]quinoline-2,5-dione.
What is the SMILES notation for 4-(4-ethylphenyl)-6-methyl-3,4-dihydropyrano[3,2-c]quinoline-2,5-dione?
The canonical SMILES for 4-(4-ethylphenyl)-6-methyl-3,4-dihydropyrano[3,2-c]quinoline-2,5-dione is CCc1ccc(C2CC(=O)Oc3c2c(=O)n(C)c2ccccc32)cc1.
What is the InChIKey of 4-(4-ethylphenyl)-6-methyl-3,4-dihydropyrano[3,2-c]quinoline-2,5-dione?
The InChIKey is UJYWORZGPSBWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO3/c1-3-13-8-10-14(11-9-13)16-12-18(23)25-20-15-6-4-5-7-17(15)22(2)21(24)19(16)20/h4-11,16H,3,12H2,1-2H3.
What are the key properties of 4-(4-ethylphenyl)-6-methyl-3,4-dihydropyrano[3,2-c]quinoline-2,5-dione?
4-(4-ethylphenyl)-6-methyl-3,4-dihydropyrano[3,2-c]quinoline-2,5-dione has a molecular weight of 333.39 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylphenyl)-6-methyl-3,4-dihydropyrano[3,2-c]quinoline-2,5-dione is sourced from PubChem (CID 4920667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).