1,10,11,12a-tetrahydroxy-4-morpholin-4-yl-7-(1,2-oxazol-4-yl)-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide

C26H25N3O9 — CID 177229562

About 1,10,11,12a-tetrahydroxy-4-morpholin-4-yl-7-(1,2-oxazol-4-yl)-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide

1,10,11,12a-tetrahydroxy-4-morpholin-4-yl-7-(1,2-oxazol-4-yl)-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide (PubChem CID 177229562) has the molecular formula C26H25N3O9 and a molecular weight of 523.50 g/mol. Its IUPAC name is 1,10,11,12a-tetrahydroxy-4-morpholin-4-yl-7-(1,2-oxazol-4-yl)-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide.

Molecular Properties

• Compound Name: 1,10,11,12a-tetrahydroxy-4-morpholin-4-yl-7-(1,2-oxazol-4-yl)-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide
• PubChem CID: 177229562
• Molecular Formula: C26H25N3O9
• Molecular Weight: 523.50 g/mol
• Exact Mass: 523.16
• IUPAC Name: 1,10,11,12a-tetrahydroxy-4-morpholin-4-yl-7-(1,2-oxazol-4-yl)-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide
• SMILES: NC(=O)C1=C(O)C2(O)C(=O)C3=C(O)c4c(O)ccc(-c5cnoc5)c4CC3CC2C(N2CCOCC2)C1=O
• InChI: InChI=1S/C26H25N3O9/c27-25(35)19-22(32)20(29-3-5-37-6-4-29)15-8-11-7-14-13(12-9-28-38-10-12)1-2-16(30)18(14)21(31)17(11)23(33)26(15,36)24(19)34/h1-2,9-11,15,20,30-31,34,36H,3-8H2,(H2,27,35)
• InChIKey: PYXJDSLSADZERO-UHFFFAOYSA-N
• XLogP: 0.39
• TPSA: 196.65 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 11
• Rotatable Bonds: 3
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	523.50
LogP ≤ 5	0.39
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1,10,11,12a-tetrahydroxy-4-morpholin-4-yl-7-(1,2-oxazol-4-yl)-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide?

The IUPAC name of 1,10,11,12a-tetrahydroxy-4-morpholin-4-yl-7-(1,2-oxazol-4-yl)-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide (CID 177229562) is 1,10,11,12a-tetrahydroxy-4-morpholin-4-yl-7-(1,2-oxazol-4-yl)-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide.

What is the SMILES notation for 1,10,11,12a-tetrahydroxy-4-morpholin-4-yl-7-(1,2-oxazol-4-yl)-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide?

The canonical SMILES for 1,10,11,12a-tetrahydroxy-4-morpholin-4-yl-7-(1,2-oxazol-4-yl)-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide is NC(=O)C1=C(O)C2(O)C(=O)C3=C(O)c4c(O)ccc(-c5cnoc5)c4CC3CC2C(N2CCOCC2)C1=O.

What is the InChIKey of 1,10,11,12a-tetrahydroxy-4-morpholin-4-yl-7-(1,2-oxazol-4-yl)-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide?

The InChIKey is PYXJDSLSADZERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O9/c27-25(35)19-22(32)20(29-3-5-37-6-4-29)15-8-11-7-14-13(12-9-28-38-10-12)1-2-16(30)18(14)21(31)17(11)23(33)26(15,36)24(19)34/h1-2,9-11,15,20,30-31,34,36H,3-8H2,(H2,27,35).

What are the key properties of 1,10,11,12a-tetrahydroxy-4-morpholin-4-yl-7-(1,2-oxazol-4-yl)-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide?

1,10,11,12a-tetrahydroxy-4-morpholin-4-yl-7-(1,2-oxazol-4-yl)-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide has a molecular weight of 523.50 g/mol, XLogP of 0.39, 3 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 1,10,11,12a-tetrahydroxy-4-morpholin-4-yl-7-(1,2-oxazol-4-yl)-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide is sourced from PubChem (CID 177229562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).