4,7-bis(dimethylamino)-10,12a-dihydroxy-1,3,11,12-tetraoxo-8-(1-propan-2-ylpyrrolidin-2-yl)-4,4a,5,5a,6,11a-hexahydrotetracene-2-carboxamide

C30H40N4O7 — CID 123325221

About 4,7-bis(dimethylamino)-10,12a-dihydroxy-1,3,11,12-tetraoxo-8-(1-propan-2-ylpyrrolidin-2-yl)-4,4a,5,5a,6,11a-hexahydrotetracene-2-carboxamide

4,7-bis(dimethylamino)-10,12a-dihydroxy-1,3,11,12-tetraoxo-8-(1-propan-2-ylpyrrolidin-2-yl)-4,4a,5,5a,6,11a-hexahydrotetracene-2-carboxamide (PubChem CID 123325221) has the molecular formula C30H40N4O7 and a molecular weight of 568.67 g/mol. Its IUPAC name is 4,7-bis(dimethylamino)-10,12a-dihydroxy-1,3,11,12-tetraoxo-8-(1-propan-2-ylpyrrolidin-2-yl)-4,4a,5,5a,6,11a-hexahydrotetracene-2-carboxamide.

Molecular Properties

• Compound Name: 4,7-bis(dimethylamino)-10,12a-dihydroxy-1,3,11,12-tetraoxo-8-(1-propan-2-ylpyrrolidin-2-yl)-4,4a,5,5a,6,11a-hexahydrotetracene-2-carboxamide
• PubChem CID: 123325221
• Molecular Formula: C30H40N4O7
• Molecular Weight: 568.67 g/mol
• Exact Mass: 568.29
• IUPAC Name: 4,7-bis(dimethylamino)-10,12a-dihydroxy-1,3,11,12-tetraoxo-8-(1-propan-2-ylpyrrolidin-2-yl)-4,4a,5,5a,6,11a-hexahydrotetracene-2-carboxamide
• SMILES: CC(C)N1CCCC1c1cc(O)c2c(c1N(C)C)CC1CC3C(N(C)C)C(=O)C(C(N)=O)C(=O)C3(O)C(=O)C1C2=O
• InChI: InChI=1S/C30H40N4O7/c1-13(2)34-9-7-8-18(34)15-12-19(35)21-16(23(15)32(3)4)10-14-11-17-24(33(5)6)26(37)22(29(31)40)28(39)30(17,41)27(38)20(14)25(21)36/h12-14,17-18,20,22,24,35,41H,7-11H2,1-6H3,(H2,31,40)
• InChIKey: ZIDAUNSLUGQCET-UHFFFAOYSA-N
• XLogP: 0.48
• TPSA: 161.55 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	568.67
LogP ≤ 5	0.48
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4,7-bis(dimethylamino)-10,12a-dihydroxy-1,3,11,12-tetraoxo-8-(1-propan-2-ylpyrrolidin-2-yl)-4,4a,5,5a,6,11a-hexahydrotetracene-2-carboxamide?

The IUPAC name of 4,7-bis(dimethylamino)-10,12a-dihydroxy-1,3,11,12-tetraoxo-8-(1-propan-2-ylpyrrolidin-2-yl)-4,4a,5,5a,6,11a-hexahydrotetracene-2-carboxamide (CID 123325221) is 4,7-bis(dimethylamino)-10,12a-dihydroxy-1,3,11,12-tetraoxo-8-(1-propan-2-ylpyrrolidin-2-yl)-4,4a,5,5a,6,11a-hexahydrotetracene-2-carboxamide.

What is the SMILES notation for 4,7-bis(dimethylamino)-10,12a-dihydroxy-1,3,11,12-tetraoxo-8-(1-propan-2-ylpyrrolidin-2-yl)-4,4a,5,5a,6,11a-hexahydrotetracene-2-carboxamide?

The canonical SMILES for 4,7-bis(dimethylamino)-10,12a-dihydroxy-1,3,11,12-tetraoxo-8-(1-propan-2-ylpyrrolidin-2-yl)-4,4a,5,5a,6,11a-hexahydrotetracene-2-carboxamide is CC(C)N1CCCC1c1cc(O)c2c(c1N(C)C)CC1CC3C(N(C)C)C(=O)C(C(N)=O)C(=O)C3(O)C(=O)C1C2=O.

What is the InChIKey of 4,7-bis(dimethylamino)-10,12a-dihydroxy-1,3,11,12-tetraoxo-8-(1-propan-2-ylpyrrolidin-2-yl)-4,4a,5,5a,6,11a-hexahydrotetracene-2-carboxamide?

The InChIKey is ZIDAUNSLUGQCET-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H40N4O7/c1-13(2)34-9-7-8-18(34)15-12-19(35)21-16(23(15)32(3)4)10-14-11-17-24(33(5)6)26(37)22(29(31)40)28(39)30(17,41)27(38)20(14)25(21)36/h12-14,17-18,20,22,24,35,41H,7-11H2,1-6H3,(H2,31,40).

What are the key properties of 4,7-bis(dimethylamino)-10,12a-dihydroxy-1,3,11,12-tetraoxo-8-(1-propan-2-ylpyrrolidin-2-yl)-4,4a,5,5a,6,11a-hexahydrotetracene-2-carboxamide?

4,7-bis(dimethylamino)-10,12a-dihydroxy-1,3,11,12-tetraoxo-8-(1-propan-2-ylpyrrolidin-2-yl)-4,4a,5,5a,6,11a-hexahydrotetracene-2-carboxamide has a molecular weight of 568.67 g/mol, XLogP of 0.48, 5 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4,7-bis(dimethylamino)-10,12a-dihydroxy-1,3,11,12-tetraoxo-8-(1-propan-2-ylpyrrolidin-2-yl)-4,4a,5,5a,6,11a-hexahydrotetracene-2-carboxamide is sourced from PubChem (CID 123325221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).