(10R)-10-[2-(dimethylamino)quinolin-3-yl]-5-hydroxy-3-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione

C29H22N2O5 — CID 125427724

About (10R)-10-[2-(dimethylamino)quinolin-3-yl]-5-hydroxy-3-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione

(10R)-10-[2-(dimethylamino)quinolin-3-yl]-5-hydroxy-3-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione (PubChem CID 125427724) has the molecular formula C29H22N2O5 and a molecular weight of 478.50 g/mol. Its IUPAC name is (10R)-10-[2-(dimethylamino)quinolin-3-yl]-5-hydroxy-3-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione.

Molecular Properties

• Compound Name: (10R)-10-[2-(dimethylamino)quinolin-3-yl]-5-hydroxy-3-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
• PubChem CID: 125427724
• Molecular Formula: C29H22N2O5
• Molecular Weight: 478.50 g/mol
• Exact Mass: 478.15
• IUPAC Name: (10R)-10-[2-(dimethylamino)quinolin-3-yl]-5-hydroxy-3-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
• SMILES: CN(C)c1nc2ccccc2cc1[C@H]1CC(=O)Oc2cc(O)c3c(=O)c(-c4ccccc4)coc3c21
• InChI: InChI=1S/C29H22N2O5/c1-31(2)29-19(12-17-10-6-7-11-21(17)30-29)18-13-24(33)36-23-14-22(32)26-27(34)20(15-35-28(26)25(18)23)16-8-4-3-5-9-16/h3-12,14-15,18,32H,13H2,1-2H3/t18-/m1/s1
• InChIKey: CYMMCVIVUZFLFB-GOSISDBHSA-N
• XLogP: 5.22
• TPSA: 92.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	478.50
LogP ≤ 5	5.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (10R)-10-[2-(dimethylamino)quinolin-3-yl]-5-hydroxy-3-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?

The IUPAC name of (10R)-10-[2-(dimethylamino)quinolin-3-yl]-5-hydroxy-3-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione (CID 125427724) is (10R)-10-[2-(dimethylamino)quinolin-3-yl]-5-hydroxy-3-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione.

What is the SMILES notation for (10R)-10-[2-(dimethylamino)quinolin-3-yl]-5-hydroxy-3-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?

The canonical SMILES for (10R)-10-[2-(dimethylamino)quinolin-3-yl]-5-hydroxy-3-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione is CN(C)c1nc2ccccc2cc1[C@H]1CC(=O)Oc2cc(O)c3c(=O)c(-c4ccccc4)coc3c21.

What is the InChIKey of (10R)-10-[2-(dimethylamino)quinolin-3-yl]-5-hydroxy-3-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?

The InChIKey is CYMMCVIVUZFLFB-GOSISDBHSA-N. The full InChI is InChI=1S/C29H22N2O5/c1-31(2)29-19(12-17-10-6-7-11-21(17)30-29)18-13-24(33)36-23-14-22(32)26-27(34)20(15-35-28(26)25(18)23)16-8-4-3-5-9-16/h3-12,14-15,18,32H,13H2,1-2H3/t18-/m1/s1.

What are the key properties of (10R)-10-[2-(dimethylamino)quinolin-3-yl]-5-hydroxy-3-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?

(10R)-10-[2-(dimethylamino)quinolin-3-yl]-5-hydroxy-3-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione has a molecular weight of 478.50 g/mol, XLogP of 5.22, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (10R)-10-[2-(dimethylamino)quinolin-3-yl]-5-hydroxy-3-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione is sourced from PubChem (CID 125427724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).