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

C20H17NO5 — CID 4904330

IUPAC4-(4-hydroxy-3-methoxyphenyl)-6-methyl-3,4-dihydropyrano[3,2-c]quinoline-2,5-dione
SMILESCOc1cc(C2CC(=O)Oc3c2c(=O)n(C)c2ccccc32)ccc1O
InChIInChI=1S/C20H17NO5/c1-21-14-6-4-3-5-12(14)19-18(20(21)24)13(10-17(23)26-19)11-7-8-15(22)16(9-11)25-2/h3-9,13,22H,10H2,1-2H3
InChIKeyCNBNAUWYKAXIPU-UHFFFAOYSA-N
MW351.36 g/mol
LogP2.69
Rot. Bonds2

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

4-(4-hydroxy-3-methoxyphenyl)-6-methyl-3,4-dihydropyrano[3,2-c]quinoline-2,5-dione (PubChem CID 4904330) has the molecular formula C20H17NO5 and a molecular weight of 351.36 g/mol. Its IUPAC name is 4-(4-hydroxy-3-methoxyphenyl)-6-methyl-3,4-dihydropyrano[3,2-c]quinoline-2,5-dione.

Molecular Properties

Compound Name4-(4-hydroxy-3-methoxyphenyl)-6-methyl-3,4-dihydropyrano[3,2-c]quinoline-2,5-dione
PubChem CID4904330
Molecular FormulaC20H17NO5
Molecular Weight351.36 g/mol
Exact Mass351.11
IUPAC Name4-(4-hydroxy-3-methoxyphenyl)-6-methyl-3,4-dihydropyrano[3,2-c]quinoline-2,5-dione
SMILESCOc1cc(C2CC(=O)Oc3c2c(=O)n(C)c2ccccc32)ccc1O
InChIInChI=1S/C20H17NO5/c1-21-14-6-4-3-5-12(14)19-18(20(21)24)13(10-17(23)26-19)11-7-8-15(22)16(9-11)25-2/h3-9,13,22H,10H2,1-2H3
InChIKeyCNBNAUWYKAXIPU-UHFFFAOYSA-N
XLogP2.69
TPSA77.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxy-3-methoxyphenyl)-6-methyl-3,4-dihydropyrano[3,2-c]quinoline-2,5-dione?
The IUPAC name of 4-(4-hydroxy-3-methoxyphenyl)-6-methyl-3,4-dihydropyrano[3,2-c]quinoline-2,5-dione (CID 4904330) is 4-(4-hydroxy-3-methoxyphenyl)-6-methyl-3,4-dihydropyrano[3,2-c]quinoline-2,5-dione.
What is the SMILES notation for 4-(4-hydroxy-3-methoxyphenyl)-6-methyl-3,4-dihydropyrano[3,2-c]quinoline-2,5-dione?
The canonical SMILES for 4-(4-hydroxy-3-methoxyphenyl)-6-methyl-3,4-dihydropyrano[3,2-c]quinoline-2,5-dione is COc1cc(C2CC(=O)Oc3c2c(=O)n(C)c2ccccc32)ccc1O.
What is the InChIKey of 4-(4-hydroxy-3-methoxyphenyl)-6-methyl-3,4-dihydropyrano[3,2-c]quinoline-2,5-dione?
The InChIKey is CNBNAUWYKAXIPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO5/c1-21-14-6-4-3-5-12(14)19-18(20(21)24)13(10-17(23)26-19)11-7-8-15(22)16(9-11)25-2/h3-9,13,22H,10H2,1-2H3.
What are the key properties of 4-(4-hydroxy-3-methoxyphenyl)-6-methyl-3,4-dihydropyrano[3,2-c]quinoline-2,5-dione?
4-(4-hydroxy-3-methoxyphenyl)-6-methyl-3,4-dihydropyrano[3,2-c]quinoline-2,5-dione has a molecular weight of 351.36 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxy-3-methoxyphenyl)-6-methyl-3,4-dihydropyrano[3,2-c]quinoline-2,5-dione is sourced from PubChem (CID 4904330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).