5,7-dihydroxy-8-[(1R)-3-morpholin-4-yl-3-oxo-1-quinolin-6-ylpropyl]-2-phenylchromen-4-one

C31H26N2O6 — CID 97424403

About 5,7-dihydroxy-8-[(1R)-3-morpholin-4-yl-3-oxo-1-quinolin-6-ylpropyl]-2-phenylchromen-4-one

5,7-dihydroxy-8-[(1R)-3-morpholin-4-yl-3-oxo-1-quinolin-6-ylpropyl]-2-phenylchromen-4-one (PubChem CID 97424403) has the molecular formula C31H26N2O6 and a molecular weight of 522.56 g/mol. Its IUPAC name is 5,7-dihydroxy-8-[(1R)-3-morpholin-4-yl-3-oxo-1-quinolin-6-ylpropyl]-2-phenylchromen-4-one.

Molecular Properties

• Compound Name: 5,7-dihydroxy-8-[(1R)-3-morpholin-4-yl-3-oxo-1-quinolin-6-ylpropyl]-2-phenylchromen-4-one
• PubChem CID: 97424403
• Molecular Formula: C31H26N2O6
• Molecular Weight: 522.56 g/mol
• Exact Mass: 522.18
• IUPAC Name: 5,7-dihydroxy-8-[(1R)-3-morpholin-4-yl-3-oxo-1-quinolin-6-ylpropyl]-2-phenylchromen-4-one
• SMILES: O=C(C[C@H](c1ccc2ncccc2c1)c1c(O)cc(O)c2c(=O)cc(-c3ccccc3)oc12)N1CCOCC1
• InChI: InChI=1S/C31H26N2O6/c34-24-17-25(35)30-26(36)18-27(19-5-2-1-3-6-19)39-31(30)29(24)22(16-28(37)33-11-13-38-14-12-33)20-8-9-23-21(15-20)7-4-10-32-23/h1-10,15,17-18,22,34-35H,11-14,16H2/t22-/m1/s1
• InChIKey: XJNQCXAJBGETAF-JOCHJYFZSA-N
• XLogP: 4.80
• TPSA: 113.10 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	522.56
LogP ≤ 5	4.80
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5,7-dihydroxy-8-[(1R)-3-morpholin-4-yl-3-oxo-1-quinolin-6-ylpropyl]-2-phenylchromen-4-one?

The IUPAC name of 5,7-dihydroxy-8-[(1R)-3-morpholin-4-yl-3-oxo-1-quinolin-6-ylpropyl]-2-phenylchromen-4-one (CID 97424403) is 5,7-dihydroxy-8-[(1R)-3-morpholin-4-yl-3-oxo-1-quinolin-6-ylpropyl]-2-phenylchromen-4-one.

What is the SMILES notation for 5,7-dihydroxy-8-[(1R)-3-morpholin-4-yl-3-oxo-1-quinolin-6-ylpropyl]-2-phenylchromen-4-one?

The canonical SMILES for 5,7-dihydroxy-8-[(1R)-3-morpholin-4-yl-3-oxo-1-quinolin-6-ylpropyl]-2-phenylchromen-4-one is O=C(C[C@H](c1ccc2ncccc2c1)c1c(O)cc(O)c2c(=O)cc(-c3ccccc3)oc12)N1CCOCC1.

What is the InChIKey of 5,7-dihydroxy-8-[(1R)-3-morpholin-4-yl-3-oxo-1-quinolin-6-ylpropyl]-2-phenylchromen-4-one?

The InChIKey is XJNQCXAJBGETAF-JOCHJYFZSA-N. The full InChI is InChI=1S/C31H26N2O6/c34-24-17-25(35)30-26(36)18-27(19-5-2-1-3-6-19)39-31(30)29(24)22(16-28(37)33-11-13-38-14-12-33)20-8-9-23-21(15-20)7-4-10-32-23/h1-10,15,17-18,22,34-35H,11-14,16H2/t22-/m1/s1.

What are the key properties of 5,7-dihydroxy-8-[(1R)-3-morpholin-4-yl-3-oxo-1-quinolin-6-ylpropyl]-2-phenylchromen-4-one?

5,7-dihydroxy-8-[(1R)-3-morpholin-4-yl-3-oxo-1-quinolin-6-ylpropyl]-2-phenylchromen-4-one has a molecular weight of 522.56 g/mol, XLogP of 4.80, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5,7-dihydroxy-8-[(1R)-3-morpholin-4-yl-3-oxo-1-quinolin-6-ylpropyl]-2-phenylchromen-4-one is sourced from PubChem (CID 97424403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).