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

C21H19NO5 — CID 4910411

IUPAC4-(2,3-dimethoxyphenyl)-6-methyl-3,4-dihydropyrano[3,2-c]quinoline-2,5-dione
SMILESCOc1cccc(C2CC(=O)Oc3c2c(=O)n(C)c2ccccc32)c1OC
InChIInChI=1S/C21H19NO5/c1-22-15-9-5-4-7-13(15)20-18(21(22)24)14(11-17(23)27-20)12-8-6-10-16(25-2)19(12)26-3/h4-10,14H,11H2,1-3H3
InChIKeyWWIGTMXHUSQRCI-UHFFFAOYSA-N
MW365.39 g/mol
LogP3.00
Rot. Bonds3

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

4-(2,3-dimethoxyphenyl)-6-methyl-3,4-dihydropyrano[3,2-c]quinoline-2,5-dione (PubChem CID 4910411) has the molecular formula C21H19NO5 and a molecular weight of 365.39 g/mol. Its IUPAC name is 4-(2,3-dimethoxyphenyl)-6-methyl-3,4-dihydropyrano[3,2-c]quinoline-2,5-dione.

Molecular Properties

Compound Name4-(2,3-dimethoxyphenyl)-6-methyl-3,4-dihydropyrano[3,2-c]quinoline-2,5-dione
PubChem CID4910411
Molecular FormulaC21H19NO5
Molecular Weight365.39 g/mol
Exact Mass365.13
IUPAC Name4-(2,3-dimethoxyphenyl)-6-methyl-3,4-dihydropyrano[3,2-c]quinoline-2,5-dione
SMILESCOc1cccc(C2CC(=O)Oc3c2c(=O)n(C)c2ccccc32)c1OC
InChIInChI=1S/C21H19NO5/c1-22-15-9-5-4-7-13(15)20-18(21(22)24)14(11-17(23)27-20)12-8-6-10-16(25-2)19(12)26-3/h4-10,14H,11H2,1-3H3
InChIKeyWWIGTMXHUSQRCI-UHFFFAOYSA-N
XLogP3.00
TPSA66.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethoxyphenyl)-6-methyl-3,4-dihydropyrano[3,2-c]quinoline-2,5-dione?
The IUPAC name of 4-(2,3-dimethoxyphenyl)-6-methyl-3,4-dihydropyrano[3,2-c]quinoline-2,5-dione (CID 4910411) is 4-(2,3-dimethoxyphenyl)-6-methyl-3,4-dihydropyrano[3,2-c]quinoline-2,5-dione.
What is the SMILES notation for 4-(2,3-dimethoxyphenyl)-6-methyl-3,4-dihydropyrano[3,2-c]quinoline-2,5-dione?
The canonical SMILES for 4-(2,3-dimethoxyphenyl)-6-methyl-3,4-dihydropyrano[3,2-c]quinoline-2,5-dione is COc1cccc(C2CC(=O)Oc3c2c(=O)n(C)c2ccccc32)c1OC.
What is the InChIKey of 4-(2,3-dimethoxyphenyl)-6-methyl-3,4-dihydropyrano[3,2-c]quinoline-2,5-dione?
The InChIKey is WWIGTMXHUSQRCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO5/c1-22-15-9-5-4-7-13(15)20-18(21(22)24)14(11-17(23)27-20)12-8-6-10-16(25-2)19(12)26-3/h4-10,14H,11H2,1-3H3.
What are the key properties of 4-(2,3-dimethoxyphenyl)-6-methyl-3,4-dihydropyrano[3,2-c]quinoline-2,5-dione?
4-(2,3-dimethoxyphenyl)-6-methyl-3,4-dihydropyrano[3,2-c]quinoline-2,5-dione has a molecular weight of 365.39 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethoxyphenyl)-6-methyl-3,4-dihydropyrano[3,2-c]quinoline-2,5-dione is sourced from PubChem (CID 4910411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).