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

C31H26N2O7 — CID 71827278

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

3-[1-(5,7-dihydroxy-4-oxo-2-phenylchromen-8-yl)-3-morpholin-4-yl-3-oxopropyl]-1H-quinolin-2-one (PubChem CID 71827278) has the molecular formula C31H26N2O7 and a molecular weight of 538.56 g/mol. Its IUPAC name is 3-[1-(5,7-dihydroxy-4-oxo-2-phenylchromen-8-yl)-3-morpholin-4-yl-3-oxopropyl]-1H-quinolin-2-one.

Molecular Properties

• Compound Name: 3-[1-(5,7-dihydroxy-4-oxo-2-phenylchromen-8-yl)-3-morpholin-4-yl-3-oxopropyl]-1H-quinolin-2-one
• PubChem CID: 71827278
• Molecular Formula: C31H26N2O7
• Molecular Weight: 538.56 g/mol
• Exact Mass: 538.17
• IUPAC Name: 3-[1-(5,7-dihydroxy-4-oxo-2-phenylchromen-8-yl)-3-morpholin-4-yl-3-oxopropyl]-1H-quinolin-2-one
• SMILES: O=C(CC(c1cc2ccccc2[nH]c1=O)c1c(O)cc(O)c2c(=O)cc(-c3ccccc3)oc12)N1CCOCC1
• InChI: InChI=1S/C31H26N2O7/c34-23-16-24(35)29-25(36)17-26(18-6-2-1-3-7-18)40-30(29)28(23)20(15-27(37)33-10-12-39-13-11-33)21-14-19-8-4-5-9-22(19)32-31(21)38/h1-9,14,16-17,20,34-35H,10-13,15H2,(H,32,38)
• InChIKey: GQDMTPLAYRIEGP-UHFFFAOYSA-N
• XLogP: 4.09
• TPSA: 133.07 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	538.56
LogP ≤ 5	4.09
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 3-[1-(5,7-dihydroxy-4-oxo-2-phenylchromen-8-yl)-3-morpholin-4-yl-3-oxopropyl]-1H-quinolin-2-one (CID 71827278) is 3-[1-(5,7-dihydroxy-4-oxo-2-phenylchromen-8-yl)-3-morpholin-4-yl-3-oxopropyl]-1H-quinolin-2-one.

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

The canonical SMILES for 3-[1-(5,7-dihydroxy-4-oxo-2-phenylchromen-8-yl)-3-morpholin-4-yl-3-oxopropyl]-1H-quinolin-2-one is O=C(CC(c1cc2ccccc2[nH]c1=O)c1c(O)cc(O)c2c(=O)cc(-c3ccccc3)oc12)N1CCOCC1.

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

The InChIKey is GQDMTPLAYRIEGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26N2O7/c34-23-16-24(35)29-25(36)17-26(18-6-2-1-3-7-18)40-30(29)28(23)20(15-27(37)33-10-12-39-13-11-33)21-14-19-8-4-5-9-22(19)32-31(21)38/h1-9,14,16-17,20,34-35H,10-13,15H2,(H,32,38).

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

3-[1-(5,7-dihydroxy-4-oxo-2-phenylchromen-8-yl)-3-morpholin-4-yl-3-oxopropyl]-1H-quinolin-2-one has a molecular weight of 538.56 g/mol, XLogP of 4.09, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-(5,7-dihydroxy-4-oxo-2-phenylchromen-8-yl)-3-morpholin-4-yl-3-oxopropyl]-1H-quinolin-2-one is sourced from PubChem (CID 71827278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).