(10S)-5-hydroxy-10-(7-methoxy-1-methyl-2-oxoquinolin-3-yl)-3-(4-methoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione

C30H23NO8 — CID 97045695

About (10S)-5-hydroxy-10-(7-methoxy-1-methyl-2-oxoquinolin-3-yl)-3-(4-methoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione

(10S)-5-hydroxy-10-(7-methoxy-1-methyl-2-oxoquinolin-3-yl)-3-(4-methoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione (PubChem CID 97045695) has the molecular formula C30H23NO8 and a molecular weight of 525.51 g/mol. Its IUPAC name is (10S)-5-hydroxy-10-(7-methoxy-1-methyl-2-oxoquinolin-3-yl)-3-(4-methoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione.

Molecular Properties

• Compound Name: (10S)-5-hydroxy-10-(7-methoxy-1-methyl-2-oxoquinolin-3-yl)-3-(4-methoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
• PubChem CID: 97045695
• Molecular Formula: C30H23NO8
• Molecular Weight: 525.51 g/mol
• Exact Mass: 525.14
• IUPAC Name: (10S)-5-hydroxy-10-(7-methoxy-1-methyl-2-oxoquinolin-3-yl)-3-(4-methoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
• SMILES: COc1ccc(-c2coc3c4c(cc(O)c3c2=O)OC(=O)C[C@@H]4c2cc3ccc(OC)cc3n(C)c2=O)cc1
• InChI: InChI=1S/C30H23NO8/c1-31-22-11-18(37-3)9-6-16(22)10-20(30(31)35)19-12-25(33)39-24-13-23(32)27-28(34)21(14-38-29(27)26(19)24)15-4-7-17(36-2)8-5-15/h4-11,13-14,19,32H,12H2,1-3H3/t19-/m1/s1
• InChIKey: HGYKVCLPNCVCCM-LJQANCHMSA-N
• XLogP: 4.48
• TPSA: 117.20 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	525.51
LogP ≤ 5	4.48
H-Bond Donors ≤ 5	1
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)-5-hydroxy-10-(7-methoxy-1-methyl-2-oxoquinolin-3-yl)-3-(4-methoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?

The IUPAC name of (10S)-5-hydroxy-10-(7-methoxy-1-methyl-2-oxoquinolin-3-yl)-3-(4-methoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione (CID 97045695) is (10S)-5-hydroxy-10-(7-methoxy-1-methyl-2-oxoquinolin-3-yl)-3-(4-methoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione.

What is the SMILES notation for (10S)-5-hydroxy-10-(7-methoxy-1-methyl-2-oxoquinolin-3-yl)-3-(4-methoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?

The canonical SMILES for (10S)-5-hydroxy-10-(7-methoxy-1-methyl-2-oxoquinolin-3-yl)-3-(4-methoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione is COc1ccc(-c2coc3c4c(cc(O)c3c2=O)OC(=O)C[C@@H]4c2cc3ccc(OC)cc3n(C)c2=O)cc1.

What is the InChIKey of (10S)-5-hydroxy-10-(7-methoxy-1-methyl-2-oxoquinolin-3-yl)-3-(4-methoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?

The InChIKey is HGYKVCLPNCVCCM-LJQANCHMSA-N. The full InChI is InChI=1S/C30H23NO8/c1-31-22-11-18(37-3)9-6-16(22)10-20(30(31)35)19-12-25(33)39-24-13-23(32)27-28(34)21(14-38-29(27)26(19)24)15-4-7-17(36-2)8-5-15/h4-11,13-14,19,32H,12H2,1-3H3/t19-/m1/s1.

What are the key properties of (10S)-5-hydroxy-10-(7-methoxy-1-methyl-2-oxoquinolin-3-yl)-3-(4-methoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?

(10S)-5-hydroxy-10-(7-methoxy-1-methyl-2-oxoquinolin-3-yl)-3-(4-methoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione has a molecular weight of 525.51 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (10S)-5-hydroxy-10-(7-methoxy-1-methyl-2-oxoquinolin-3-yl)-3-(4-methoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione is sourced from PubChem (CID 97045695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).