4-(dimethylamino)-8-[[ethyl-[(1-ethylcyclobutyl)methyl]amino]methyl]-7-fluoro-1,11,12a-trihydroxy-3,12-dioxo-10-prop-2-enoxy-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide

C34H43FN3O7- — CID 91430203

About 4-(dimethylamino)-8-[[ethyl-[(1-ethylcyclobutyl)methyl]amino]methyl]-7-fluoro-1,11,12a-trihydroxy-3,12-dioxo-10-prop-2-enoxy-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide

4-(dimethylamino)-8-[[ethyl-[(1-ethylcyclobutyl)methyl]amino]methyl]-7-fluoro-1,11,12a-trihydroxy-3,12-dioxo-10-prop-2-enoxy-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide (PubChem CID 91430203) has the molecular formula C34H43FN3O7- and a molecular weight of 624.73 g/mol. Its IUPAC name is 4-(dimethylamino)-8-[[ethyl-[(1-ethylcyclobutyl)methyl]amino]methyl]-7-fluoro-1,11,12a-trihydroxy-3,12-dioxo-10-prop-2-enoxy-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide.

Molecular Properties

• Compound Name: 4-(dimethylamino)-8-[[ethyl-[(1-ethylcyclobutyl)methyl]amino]methyl]-7-fluoro-1,11,12a-trihydroxy-3,12-dioxo-10-prop-2-enoxy-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide
• PubChem CID: 91430203
• Molecular Formula: C34H43FN3O7-
• Molecular Weight: 624.73 g/mol
• Exact Mass: 624.31
• IUPAC Name: 4-(dimethylamino)-8-[[ethyl-[(1-ethylcyclobutyl)methyl]amino]methyl]-7-fluoro-1,11,12a-trihydroxy-3,12-dioxo-10-prop-2-enoxy-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide
• SMILES: C=[C-]COc1cc(CN(CC)CC2(CC)CCC2)c(F)c2c1C(O)=C1C(=O)C3(O)C(O)=C(C(N)=O)C(=O)C(N(C)C)C3CC1C2
• InChI: InChI=1S/C34H43FN3O7/c1-6-12-45-22-15-19(16-38(8-3)17-33(7-2)10-9-11-33)26(35)20-13-18-14-21-27(37(4)5)29(40)25(32(36)43)31(42)34(21,44)30(41)23(18)28(39)24(20)22/h15,18,21,27,39,42,44H,1,7-14,16-17H2,2-5H3,(H2,36,43)/q-1
• InChIKey: SXSVRUTUXVYSOG-UHFFFAOYSA-N
• XLogP: 3.17
• TPSA: 153.63 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	624.73
LogP ≤ 5	3.17
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-8-[[ethyl-[(1-ethylcyclobutyl)methyl]amino]methyl]-7-fluoro-1,11,12a-trihydroxy-3,12-dioxo-10-prop-2-enoxy-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide?

The IUPAC name of 4-(dimethylamino)-8-[[ethyl-[(1-ethylcyclobutyl)methyl]amino]methyl]-7-fluoro-1,11,12a-trihydroxy-3,12-dioxo-10-prop-2-enoxy-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide (CID 91430203) is 4-(dimethylamino)-8-[[ethyl-[(1-ethylcyclobutyl)methyl]amino]methyl]-7-fluoro-1,11,12a-trihydroxy-3,12-dioxo-10-prop-2-enoxy-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide.

What is the SMILES notation for 4-(dimethylamino)-8-[[ethyl-[(1-ethylcyclobutyl)methyl]amino]methyl]-7-fluoro-1,11,12a-trihydroxy-3,12-dioxo-10-prop-2-enoxy-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide?

The canonical SMILES for 4-(dimethylamino)-8-[[ethyl-[(1-ethylcyclobutyl)methyl]amino]methyl]-7-fluoro-1,11,12a-trihydroxy-3,12-dioxo-10-prop-2-enoxy-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide is C=[C-]COc1cc(CN(CC)CC2(CC)CCC2)c(F)c2c1C(O)=C1C(=O)C3(O)C(O)=C(C(N)=O)C(=O)C(N(C)C)C3CC1C2.

What is the InChIKey of 4-(dimethylamino)-8-[[ethyl-[(1-ethylcyclobutyl)methyl]amino]methyl]-7-fluoro-1,11,12a-trihydroxy-3,12-dioxo-10-prop-2-enoxy-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide?

The InChIKey is SXSVRUTUXVYSOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H43FN3O7/c1-6-12-45-22-15-19(16-38(8-3)17-33(7-2)10-9-11-33)26(35)20-13-18-14-21-27(37(4)5)29(40)25(32(36)43)31(42)34(21,44)30(41)23(18)28(39)24(20)22/h15,18,21,27,39,42,44H,1,7-14,16-17H2,2-5H3,(H2,36,43)/q-1.

What are the key properties of 4-(dimethylamino)-8-[[ethyl-[(1-ethylcyclobutyl)methyl]amino]methyl]-7-fluoro-1,11,12a-trihydroxy-3,12-dioxo-10-prop-2-enoxy-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide?

4-(dimethylamino)-8-[[ethyl-[(1-ethylcyclobutyl)methyl]amino]methyl]-7-fluoro-1,11,12a-trihydroxy-3,12-dioxo-10-prop-2-enoxy-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide has a molecular weight of 624.73 g/mol, XLogP of 3.17, 11 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(dimethylamino)-8-[[ethyl-[(1-ethylcyclobutyl)methyl]amino]methyl]-7-fluoro-1,11,12a-trihydroxy-3,12-dioxo-10-prop-2-enoxy-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide is sourced from PubChem (CID 91430203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).