4-(dimethylamino)-7-fluoro-10,12a-dihydroxy-8-(1H-imidazol-2-yl)-N-methyl-1,3,11,12-tetraoxo-4,4a,5,5a,6,11a-hexahydrotetracene-2-carboxamide

C25H25FN4O7 — CID 123550915

About 4-(dimethylamino)-7-fluoro-10,12a-dihydroxy-8-(1H-imidazol-2-yl)-N-methyl-1,3,11,12-tetraoxo-4,4a,5,5a,6,11a-hexahydrotetracene-2-carboxamide

4-(dimethylamino)-7-fluoro-10,12a-dihydroxy-8-(1H-imidazol-2-yl)-N-methyl-1,3,11,12-tetraoxo-4,4a,5,5a,6,11a-hexahydrotetracene-2-carboxamide (PubChem CID 123550915) has the molecular formula C25H25FN4O7 and a molecular weight of 512.49 g/mol. Its IUPAC name is 4-(dimethylamino)-7-fluoro-10,12a-dihydroxy-8-(1H-imidazol-2-yl)-N-methyl-1,3,11,12-tetraoxo-4,4a,5,5a,6,11a-hexahydrotetracene-2-carboxamide.

Molecular Properties

• Compound Name: 4-(dimethylamino)-7-fluoro-10,12a-dihydroxy-8-(1H-imidazol-2-yl)-N-methyl-1,3,11,12-tetraoxo-4,4a,5,5a,6,11a-hexahydrotetracene-2-carboxamide
• PubChem CID: 123550915
• Molecular Formula: C25H25FN4O7
• Molecular Weight: 512.49 g/mol
• Exact Mass: 512.17
• IUPAC Name: 4-(dimethylamino)-7-fluoro-10,12a-dihydroxy-8-(1H-imidazol-2-yl)-N-methyl-1,3,11,12-tetraoxo-4,4a,5,5a,6,11a-hexahydrotetracene-2-carboxamide
• SMILES: CNC(=O)C1C(=O)C(N(C)C)C2CC3Cc4c(F)c(-c5ncc[nH]5)cc(O)c4C(=O)C3C(=O)C2(O)C1=O
• InChI: InChI=1S/C25H25FN4O7/c1-27-24(36)16-20(33)18(30(2)3)12-7-9-6-10-15(19(32)14(9)21(34)25(12,37)22(16)35)13(31)8-11(17(10)26)23-28-4-5-29-23/h4-5,8-9,12,14,16,18,31,37H,6-7H2,1-3H3,(H,27,36)(H,28,29)
• InChIKey: RSSSXJKCOVZXEZ-UHFFFAOYSA-N
• XLogP: -0.34
• TPSA: 169.76 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 3
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	512.49
LogP ≤ 5	-0.34
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-7-fluoro-10,12a-dihydroxy-8-(1H-imidazol-2-yl)-N-methyl-1,3,11,12-tetraoxo-4,4a,5,5a,6,11a-hexahydrotetracene-2-carboxamide?

The IUPAC name of 4-(dimethylamino)-7-fluoro-10,12a-dihydroxy-8-(1H-imidazol-2-yl)-N-methyl-1,3,11,12-tetraoxo-4,4a,5,5a,6,11a-hexahydrotetracene-2-carboxamide (CID 123550915) is 4-(dimethylamino)-7-fluoro-10,12a-dihydroxy-8-(1H-imidazol-2-yl)-N-methyl-1,3,11,12-tetraoxo-4,4a,5,5a,6,11a-hexahydrotetracene-2-carboxamide.

What is the SMILES notation for 4-(dimethylamino)-7-fluoro-10,12a-dihydroxy-8-(1H-imidazol-2-yl)-N-methyl-1,3,11,12-tetraoxo-4,4a,5,5a,6,11a-hexahydrotetracene-2-carboxamide?

The canonical SMILES for 4-(dimethylamino)-7-fluoro-10,12a-dihydroxy-8-(1H-imidazol-2-yl)-N-methyl-1,3,11,12-tetraoxo-4,4a,5,5a,6,11a-hexahydrotetracene-2-carboxamide is CNC(=O)C1C(=O)C(N(C)C)C2CC3Cc4c(F)c(-c5ncc[nH]5)cc(O)c4C(=O)C3C(=O)C2(O)C1=O.

What is the InChIKey of 4-(dimethylamino)-7-fluoro-10,12a-dihydroxy-8-(1H-imidazol-2-yl)-N-methyl-1,3,11,12-tetraoxo-4,4a,5,5a,6,11a-hexahydrotetracene-2-carboxamide?

The InChIKey is RSSSXJKCOVZXEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN4O7/c1-27-24(36)16-20(33)18(30(2)3)12-7-9-6-10-15(19(32)14(9)21(34)25(12,37)22(16)35)13(31)8-11(17(10)26)23-28-4-5-29-23/h4-5,8-9,12,14,16,18,31,37H,6-7H2,1-3H3,(H,27,36)(H,28,29).

What are the key properties of 4-(dimethylamino)-7-fluoro-10,12a-dihydroxy-8-(1H-imidazol-2-yl)-N-methyl-1,3,11,12-tetraoxo-4,4a,5,5a,6,11a-hexahydrotetracene-2-carboxamide?

4-(dimethylamino)-7-fluoro-10,12a-dihydroxy-8-(1H-imidazol-2-yl)-N-methyl-1,3,11,12-tetraoxo-4,4a,5,5a,6,11a-hexahydrotetracene-2-carboxamide has a molecular weight of 512.49 g/mol, XLogP of -0.34, 3 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(dimethylamino)-7-fluoro-10,12a-dihydroxy-8-(1H-imidazol-2-yl)-N-methyl-1,3,11,12-tetraoxo-4,4a,5,5a,6,11a-hexahydrotetracene-2-carboxamide is sourced from PubChem (CID 123550915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).