8-[[cyclopropyl(2,2-dimethylpropyl)amino]methyl]-4-(dimethylamino)-7-fluoro-10,12a-dihydroxy-1,3,11,12-tetraoxo-4,4a,5,5a,6,11a-hexahydrotetracene-2-carboxamide

C30H38FN3O7 — CID 91230056

About 8-[[cyclopropyl(2,2-dimethylpropyl)amino]methyl]-4-(dimethylamino)-7-fluoro-10,12a-dihydroxy-1,3,11,12-tetraoxo-4,4a,5,5a,6,11a-hexahydrotetracene-2-carboxamide

8-[[cyclopropyl(2,2-dimethylpropyl)amino]methyl]-4-(dimethylamino)-7-fluoro-10,12a-dihydroxy-1,3,11,12-tetraoxo-4,4a,5,5a,6,11a-hexahydrotetracene-2-carboxamide (PubChem CID 91230056) has the molecular formula C30H38FN3O7 and a molecular weight of 571.65 g/mol. Its IUPAC name is 8-[[cyclopropyl(2,2-dimethylpropyl)amino]methyl]-4-(dimethylamino)-7-fluoro-10,12a-dihydroxy-1,3,11,12-tetraoxo-4,4a,5,5a,6,11a-hexahydrotetracene-2-carboxamide.

Molecular Properties

• Compound Name: 8-[[cyclopropyl(2,2-dimethylpropyl)amino]methyl]-4-(dimethylamino)-7-fluoro-10,12a-dihydroxy-1,3,11,12-tetraoxo-4,4a,5,5a,6,11a-hexahydrotetracene-2-carboxamide
• PubChem CID: 91230056
• Molecular Formula: C30H38FN3O7
• Molecular Weight: 571.65 g/mol
• Exact Mass: 571.27
• IUPAC Name: 8-[[cyclopropyl(2,2-dimethylpropyl)amino]methyl]-4-(dimethylamino)-7-fluoro-10,12a-dihydroxy-1,3,11,12-tetraoxo-4,4a,5,5a,6,11a-hexahydrotetracene-2-carboxamide
• SMILES: CN(C)C1C(=O)C(C(N)=O)C(=O)C2(O)C(=O)C3C(=O)c4c(O)cc(CN(CC(C)(C)C)C5CC5)c(F)c4CC3CC12
• InChI: InChI=1S/C30H38FN3O7/c1-29(2,3)12-34(15-6-7-15)11-14-10-18(35)20-16(22(14)31)8-13-9-17-23(33(4)5)25(37)21(28(32)40)27(39)30(17,41)26(38)19(13)24(20)36/h10,13,15,17,19,21,23,35,41H,6-9,11-12H2,1-5H3,(H2,32,40)
• InChIKey: GZZCLZPZMDMNLS-UHFFFAOYSA-N
• XLogP: 1.02
• TPSA: 158.31 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	571.65
LogP ≤ 5	1.02
H-Bond Donors ≤ 5	3
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 8-[[cyclopropyl(2,2-dimethylpropyl)amino]methyl]-4-(dimethylamino)-7-fluoro-10,12a-dihydroxy-1,3,11,12-tetraoxo-4,4a,5,5a,6,11a-hexahydrotetracene-2-carboxamide?

The IUPAC name of 8-[[cyclopropyl(2,2-dimethylpropyl)amino]methyl]-4-(dimethylamino)-7-fluoro-10,12a-dihydroxy-1,3,11,12-tetraoxo-4,4a,5,5a,6,11a-hexahydrotetracene-2-carboxamide (CID 91230056) is 8-[[cyclopropyl(2,2-dimethylpropyl)amino]methyl]-4-(dimethylamino)-7-fluoro-10,12a-dihydroxy-1,3,11,12-tetraoxo-4,4a,5,5a,6,11a-hexahydrotetracene-2-carboxamide.

What is the SMILES notation for 8-[[cyclopropyl(2,2-dimethylpropyl)amino]methyl]-4-(dimethylamino)-7-fluoro-10,12a-dihydroxy-1,3,11,12-tetraoxo-4,4a,5,5a,6,11a-hexahydrotetracene-2-carboxamide?

The canonical SMILES for 8-[[cyclopropyl(2,2-dimethylpropyl)amino]methyl]-4-(dimethylamino)-7-fluoro-10,12a-dihydroxy-1,3,11,12-tetraoxo-4,4a,5,5a,6,11a-hexahydrotetracene-2-carboxamide is CN(C)C1C(=O)C(C(N)=O)C(=O)C2(O)C(=O)C3C(=O)c4c(O)cc(CN(CC(C)(C)C)C5CC5)c(F)c4CC3CC12.

What is the InChIKey of 8-[[cyclopropyl(2,2-dimethylpropyl)amino]methyl]-4-(dimethylamino)-7-fluoro-10,12a-dihydroxy-1,3,11,12-tetraoxo-4,4a,5,5a,6,11a-hexahydrotetracene-2-carboxamide?

The InChIKey is GZZCLZPZMDMNLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38FN3O7/c1-29(2,3)12-34(15-6-7-15)11-14-10-18(35)20-16(22(14)31)8-13-9-17-23(33(4)5)25(37)21(28(32)40)27(39)30(17,41)26(38)19(13)24(20)36/h10,13,15,17,19,21,23,35,41H,6-9,11-12H2,1-5H3,(H2,32,40).

What are the key properties of 8-[[cyclopropyl(2,2-dimethylpropyl)amino]methyl]-4-(dimethylamino)-7-fluoro-10,12a-dihydroxy-1,3,11,12-tetraoxo-4,4a,5,5a,6,11a-hexahydrotetracene-2-carboxamide?

8-[[cyclopropyl(2,2-dimethylpropyl)amino]methyl]-4-(dimethylamino)-7-fluoro-10,12a-dihydroxy-1,3,11,12-tetraoxo-4,4a,5,5a,6,11a-hexahydrotetracene-2-carboxamide has a molecular weight of 571.65 g/mol, XLogP of 1.02, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[[cyclopropyl(2,2-dimethylpropyl)amino]methyl]-4-(dimethylamino)-7-fluoro-10,12a-dihydroxy-1,3,11,12-tetraoxo-4,4a,5,5a,6,11a-hexahydrotetracene-2-carboxamide is sourced from PubChem (CID 91230056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).