(10S)-3-(3,4-dimethoxyphenyl)-5-hydroxy-10-(6-methoxy-2-oxo-1H-quinolin-3-yl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione

C30H23NO9 — CID 125429211

About (10S)-3-(3,4-dimethoxyphenyl)-5-hydroxy-10-(6-methoxy-2-oxo-1H-quinolin-3-yl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione

(10S)-3-(3,4-dimethoxyphenyl)-5-hydroxy-10-(6-methoxy-2-oxo-1H-quinolin-3-yl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione (PubChem CID 125429211) has the molecular formula C30H23NO9 and a molecular weight of 541.51 g/mol. Its IUPAC name is (10S)-3-(3,4-dimethoxyphenyl)-5-hydroxy-10-(6-methoxy-2-oxo-1H-quinolin-3-yl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione.

Molecular Properties

• Compound Name: (10S)-3-(3,4-dimethoxyphenyl)-5-hydroxy-10-(6-methoxy-2-oxo-1H-quinolin-3-yl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
• PubChem CID: 125429211
• Molecular Formula: C30H23NO9
• Molecular Weight: 541.51 g/mol
• Exact Mass: 541.14
• IUPAC Name: (10S)-3-(3,4-dimethoxyphenyl)-5-hydroxy-10-(6-methoxy-2-oxo-1H-quinolin-3-yl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
• SMILES: COc1ccc2[nH]c(=O)c([C@H]3CC(=O)Oc4cc(O)c5c(=O)c(-c6ccc(OC)c(OC)c6)coc5c43)cc2c1
• InChI: InChI=1S/C30H23NO9/c1-36-16-5-6-20-15(8-16)9-18(30(35)31-20)17-11-25(33)40-24-12-21(32)27-28(34)19(13-39-29(27)26(17)24)14-4-7-22(37-2)23(10-14)38-3/h4-10,12-13,17,32H,11H2,1-3H3,(H,31,35)/t17-/m1/s1
• InChIKey: ONDYKJPRTMMTKV-QGZVFWFLSA-N
• XLogP: 4.47
• TPSA: 137.29 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	541.51
LogP ≤ 5	4.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (10S)-3-(3,4-dimethoxyphenyl)-5-hydroxy-10-(6-methoxy-2-oxo-1H-quinolin-3-yl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?

The IUPAC name of (10S)-3-(3,4-dimethoxyphenyl)-5-hydroxy-10-(6-methoxy-2-oxo-1H-quinolin-3-yl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione (CID 125429211) is (10S)-3-(3,4-dimethoxyphenyl)-5-hydroxy-10-(6-methoxy-2-oxo-1H-quinolin-3-yl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione.

What is the SMILES notation for (10S)-3-(3,4-dimethoxyphenyl)-5-hydroxy-10-(6-methoxy-2-oxo-1H-quinolin-3-yl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?

The canonical SMILES for (10S)-3-(3,4-dimethoxyphenyl)-5-hydroxy-10-(6-methoxy-2-oxo-1H-quinolin-3-yl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione is COc1ccc2[nH]c(=O)c([C@H]3CC(=O)Oc4cc(O)c5c(=O)c(-c6ccc(OC)c(OC)c6)coc5c43)cc2c1.

What is the InChIKey of (10S)-3-(3,4-dimethoxyphenyl)-5-hydroxy-10-(6-methoxy-2-oxo-1H-quinolin-3-yl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?

The InChIKey is ONDYKJPRTMMTKV-QGZVFWFLSA-N. The full InChI is InChI=1S/C30H23NO9/c1-36-16-5-6-20-15(8-16)9-18(30(35)31-20)17-11-25(33)40-24-12-21(32)27-28(34)19(13-39-29(27)26(17)24)14-4-7-22(37-2)23(10-14)38-3/h4-10,12-13,17,32H,11H2,1-3H3,(H,31,35)/t17-/m1/s1.

What are the key properties of (10S)-3-(3,4-dimethoxyphenyl)-5-hydroxy-10-(6-methoxy-2-oxo-1H-quinolin-3-yl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?

(10S)-3-(3,4-dimethoxyphenyl)-5-hydroxy-10-(6-methoxy-2-oxo-1H-quinolin-3-yl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione has a molecular weight of 541.51 g/mol, XLogP of 4.47, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (10S)-3-(3,4-dimethoxyphenyl)-5-hydroxy-10-(6-methoxy-2-oxo-1H-quinolin-3-yl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione is sourced from PubChem (CID 125429211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).