copper;(2S)-7-fluoro-2-methyl-6-(4-methylpiperazin-1-yl)-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylate;1,10-phenanthroline-5,6-dione;chloride

C30H25ClCuFN5O6 — CID 52953214

About copper;(2S)-7-fluoro-2-methyl-6-(4-methylpiperazin-1-yl)-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylate;1,10-phenanthroline-5,6-dione;chloride

copper;(2S)-7-fluoro-2-methyl-6-(4-methylpiperazin-1-yl)-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylate;1,10-phenanthroline-5,6-dione;chloride (PubChem CID 52953214) has the molecular formula C30H25ClCuFN5O6 and a molecular weight of 669.56 g/mol. Its IUPAC name is copper;(2S)-7-fluoro-2-methyl-6-(4-methylpiperazin-1-yl)-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylate;1,10-phenanthroline-5,6-dione;chloride.

Molecular Properties

• Compound Name: copper;(2S)-7-fluoro-2-methyl-6-(4-methylpiperazin-1-yl)-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylate;1,10-phenanthroline-5,6-dione;chloride
• PubChem CID: 52953214
• Molecular Formula: C30H25ClCuFN5O6
• Molecular Weight: 669.56 g/mol
• Exact Mass: 668.08
• IUPAC Name: copper;(2S)-7-fluoro-2-methyl-6-(4-methylpiperazin-1-yl)-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylate;1,10-phenanthroline-5,6-dione;chloride
• SMILES: C[C@H]1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)[O-])cn1c23.O=C1C(=O)c2cccnc2-c2ncccc21.[Cl-].[Cu+2]
• InChI: InChI=1S/C18H20FN3O4.C12H6N2O2.ClH.Cu/c1-10-9-26-17-14-11(16(23)12(18(24)25)8-22(10)14)7-13(19)15(17)21-5-3-20(2)4-6-21;15-11-7-3-1-5-13-9(7)10-8(12(11)16)4-2-6-14-10;;/h7-8,10H,3-6,9H2,1-2H3,(H,24,25);1-6H;1H;/q;;;+2/p-2/t10-;;;/m0.../s1
• InChIKey: NAVNPDCKYWXDCL-KAFJHEIMSA-L
• XLogP: -1.27
• TPSA: 137.76 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 2
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	669.56
LogP ≤ 5	-1.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of copper;(2S)-7-fluoro-2-methyl-6-(4-methylpiperazin-1-yl)-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylate;1,10-phenanthroline-5,6-dione;chloride?

The IUPAC name of copper;(2S)-7-fluoro-2-methyl-6-(4-methylpiperazin-1-yl)-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylate;1,10-phenanthroline-5,6-dione;chloride (CID 52953214) is copper;(2S)-7-fluoro-2-methyl-6-(4-methylpiperazin-1-yl)-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylate;1,10-phenanthroline-5,6-dione;chloride.

What is the SMILES notation for copper;(2S)-7-fluoro-2-methyl-6-(4-methylpiperazin-1-yl)-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylate;1,10-phenanthroline-5,6-dione;chloride?

The canonical SMILES for copper;(2S)-7-fluoro-2-methyl-6-(4-methylpiperazin-1-yl)-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylate;1,10-phenanthroline-5,6-dione;chloride is C[C@H]1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)[O-])cn1c23.O=C1C(=O)c2cccnc2-c2ncccc21.[Cl-].[Cu+2].

What is the InChIKey of copper;(2S)-7-fluoro-2-methyl-6-(4-methylpiperazin-1-yl)-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylate;1,10-phenanthroline-5,6-dione;chloride?

The InChIKey is NAVNPDCKYWXDCL-KAFJHEIMSA-L. The full InChI is InChI=1S/C18H20FN3O4.C12H6N2O2.ClH.Cu/c1-10-9-26-17-14-11(16(23)12(18(24)25)8-22(10)14)7-13(19)15(17)21-5-3-20(2)4-6-21;15-11-7-3-1-5-13-9(7)10-8(12(11)16)4-2-6-14-10;;/h7-8,10H,3-6,9H2,1-2H3,(H,24,25);1-6H;1H;/q;;;+2/p-2/t10-;;;/m0.../s1.

What are the key properties of copper;(2S)-7-fluoro-2-methyl-6-(4-methylpiperazin-1-yl)-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylate;1,10-phenanthroline-5,6-dione;chloride?

copper;(2S)-7-fluoro-2-methyl-6-(4-methylpiperazin-1-yl)-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylate;1,10-phenanthroline-5,6-dione;chloride has a molecular weight of 669.56 g/mol, XLogP of -1.27, 2 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for copper;(2S)-7-fluoro-2-methyl-6-(4-methylpiperazin-1-yl)-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylate;1,10-phenanthroline-5,6-dione;chloride is sourced from PubChem (CID 52953214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).