sodium;2-chloro-3-ethylquinoxaline;(1S,4R,6S,14S,18R)-8,8-difluoro-18-hydroxy-14-[(2-methylpropan-2-yl)oxycarbonylamino]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadecane-4-carboxylic acid;(1S,4R,6S,14S,18R)-18-(3-ethylquinoxalin-2-yl)oxy-8,8-difluoro-14-[(2-methylpropan-2-yl)oxycarbonylamino]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadecane-4-carboxylic acid;2-methylbutane;hydroxide

C72H100ClF4N9NaO15- — CID 160813292

About sodium;2-chloro-3-ethylquinoxaline;(1S,4R,6S,14S,18R)-8,8-difluoro-18-hydroxy-14-[(2-methylpropan-2-yl)oxycarbonylamino]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadecane-4-carboxylic acid;(1S,4R,6S,14S,18R)-18-(3-ethylquinoxalin-2-yl)oxy-8,8-difluoro-14-[(2-methylpropan-2-yl)oxycarbonylamino]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadecane-4-carboxylic acid;2-methylbutane;hydroxide

sodium;2-chloro-3-ethylquinoxaline;(1S,4R,6S,14S,18R)-8,8-difluoro-18-hydroxy-14-[(2-methylpropan-2-yl)oxycarbonylamino]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadecane-4-carboxylic acid;(1S,4R,6S,14S,18R)-18-(3-ethylquinoxalin-2-yl)oxy-8,8-difluoro-14-[(2-methylpropan-2-yl)oxycarbonylamino]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadecane-4-carboxylic acid;2-methylbutane;hydroxide (PubChem CID 160813292) has the molecular formula C72H100ClF4N9NaO15- and a molecular weight of 1466.07 g/mol. Its IUPAC name is sodium;2-chloro-3-ethylquinoxaline;(1S,4R,6S,14S,18R)-8,8-difluoro-18-hydroxy-14-[(2-methylpropan-2-yl)oxycarbonylamino]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadecane-4-carboxylic acid;(1S,4R,6S,14S,18R)-18-(3-ethylquinoxalin-2-yl)oxy-8,8-difluoro-14-[(2-methylpropan-2-yl)oxycarbonylamino]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadecane-4-carboxylic acid;2-methylbutane;hydroxide.

Molecular Properties

• Compound Name: sodium;2-chloro-3-ethylquinoxaline;(1S,4R,6S,14S,18R)-8,8-difluoro-18-hydroxy-14-[(2-methylpropan-2-yl)oxycarbonylamino]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadecane-4-carboxylic acid;(1S,4R,6S,14S,18R)-18-(3-ethylquinoxalin-2-yl)oxy-8,8-difluoro-14-[(2-methylpropan-2-yl)oxycarbonylamino]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadecane-4-carboxylic acid;2-methylbutane;hydroxide
• PubChem CID: 160813292
• Molecular Formula: C72H100ClF4N9NaO15-
• Molecular Weight: 1466.07 g/mol
• Exact Mass: 1464.69
• IUPAC Name: sodium;2-chloro-3-ethylquinoxaline;(1S,4R,6S,14S,18R)-8,8-difluoro-18-hydroxy-14-[(2-methylpropan-2-yl)oxycarbonylamino]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadecane-4-carboxylic acid;(1S,4R,6S,14S,18R)-18-(3-ethylquinoxalin-2-yl)oxy-8,8-difluoro-14-[(2-methylpropan-2-yl)oxycarbonylamino]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadecane-4-carboxylic acid;2-methylbutane;hydroxide
• SMILES: CC(C)(C)OC(=O)N[C@H]1CCCCCC(F)(F)C[C@@H]2C[C@@]2(C(=O)O)CC(=O)[C@@H]2C[C@@H](O)CN2C1=O.CC[C-](C)C.CCc1nc2ccccc2nc1Cl.CCc1nc2ccccc2nc1O[C@@H]1C[C@H]2C(=O)N[C@]3(C(=O)O)C[C@H]3CC(F)(F)CCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N2C1.[Na+].[OH-]
• InChI: InChI=1S/C33H43F2N5O7.C24H36F2N2O7.C10H9ClN2.C5H11.Na.H2O/c1-5-21-27(37-23-12-9-8-11-22(23)36-21)46-20-15-25-26(41)39-33(29(43)44)17-19(33)16-32(34,35)14-10-6-7-13-24(28(42)40(25)18-20)38-30(45)47-31(2,3)4;1-22(2,3)35-21(34)27-16-7-5-4-6-8-24(25,26)11-14-10-23(14,20(32)33)12-18(30)17-9-15(29)13-28(17)19(16)31;1-2-7-10(11)13-9-6-4-3-5-8(9)12-7;1-4-5(2)3;;/h8-9,11-12,19-20,24-25H,5-7,10,13-18H2,1-4H3,(H,38,45)(H,39,41)(H,43,44);14-17,29H,4-13H2,1-3H3,(H,27,34)(H,32,33);3-6H,2H2,1H3;4H2,1-3H3;;1H2/q;;;-1;+1;/p-1/t19-,20-,24+,25+,33-;14-,15+,16-,17-,23+;;;;/m10..../s1
• InChIKey: ULQZJRXLJAVYTH-KYIOFCNXSA-M
• XLogP: 8.95
• TPSA: 349.07 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 17
• Rotatable Bonds: 9
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1466.07
LogP ≤ 5	8.95
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of sodium;2-chloro-3-ethylquinoxaline;(1S,4R,6S,14S,18R)-8,8-difluoro-18-hydroxy-14-[(2-methylpropan-2-yl)oxycarbonylamino]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadecane-4-carboxylic acid;(1S,4R,6S,14S,18R)-18-(3-ethylquinoxalin-2-yl)oxy-8,8-difluoro-14-[(2-methylpropan-2-yl)oxycarbonylamino]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadecane-4-carboxylic acid;2-methylbutane;hydroxide?

The IUPAC name of sodium;2-chloro-3-ethylquinoxaline;(1S,4R,6S,14S,18R)-8,8-difluoro-18-hydroxy-14-[(2-methylpropan-2-yl)oxycarbonylamino]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadecane-4-carboxylic acid;(1S,4R,6S,14S,18R)-18-(3-ethylquinoxalin-2-yl)oxy-8,8-difluoro-14-[(2-methylpropan-2-yl)oxycarbonylamino]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadecane-4-carboxylic acid;2-methylbutane;hydroxide (CID 160813292) is sodium;2-chloro-3-ethylquinoxaline;(1S,4R,6S,14S,18R)-8,8-difluoro-18-hydroxy-14-[(2-methylpropan-2-yl)oxycarbonylamino]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadecane-4-carboxylic acid;(1S,4R,6S,14S,18R)-18-(3-ethylquinoxalin-2-yl)oxy-8,8-difluoro-14-[(2-methylpropan-2-yl)oxycarbonylamino]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadecane-4-carboxylic acid;2-methylbutane;hydroxide.

What is the SMILES notation for sodium;2-chloro-3-ethylquinoxaline;(1S,4R,6S,14S,18R)-8,8-difluoro-18-hydroxy-14-[(2-methylpropan-2-yl)oxycarbonylamino]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadecane-4-carboxylic acid;(1S,4R,6S,14S,18R)-18-(3-ethylquinoxalin-2-yl)oxy-8,8-difluoro-14-[(2-methylpropan-2-yl)oxycarbonylamino]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadecane-4-carboxylic acid;2-methylbutane;hydroxide?

The canonical SMILES for sodium;2-chloro-3-ethylquinoxaline;(1S,4R,6S,14S,18R)-8,8-difluoro-18-hydroxy-14-[(2-methylpropan-2-yl)oxycarbonylamino]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadecane-4-carboxylic acid;(1S,4R,6S,14S,18R)-18-(3-ethylquinoxalin-2-yl)oxy-8,8-difluoro-14-[(2-methylpropan-2-yl)oxycarbonylamino]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadecane-4-carboxylic acid;2-methylbutane;hydroxide is CC(C)(C)OC(=O)N[C@H]1CCCCCC(F)(F)C[C@@H]2C[C@@]2(C(=O)O)CC(=O)[C@@H]2C[C@@H](O)CN2C1=O.CC[C-](C)C.CCc1nc2ccccc2nc1Cl.CCc1nc2ccccc2nc1O[C@@H]1C[C@H]2C(=O)N[C@]3(C(=O)O)C[C@H]3CC(F)(F)CCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N2C1.[Na+].[OH-].

What is the InChIKey of sodium;2-chloro-3-ethylquinoxaline;(1S,4R,6S,14S,18R)-8,8-difluoro-18-hydroxy-14-[(2-methylpropan-2-yl)oxycarbonylamino]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadecane-4-carboxylic acid;(1S,4R,6S,14S,18R)-18-(3-ethylquinoxalin-2-yl)oxy-8,8-difluoro-14-[(2-methylpropan-2-yl)oxycarbonylamino]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadecane-4-carboxylic acid;2-methylbutane;hydroxide?

The InChIKey is ULQZJRXLJAVYTH-KYIOFCNXSA-M. The full InChI is InChI=1S/C33H43F2N5O7.C24H36F2N2O7.C10H9ClN2.C5H11.Na.H2O/c1-5-21-27(37-23-12-9-8-11-22(23)36-21)46-20-15-25-26(41)39-33(29(43)44)17-19(33)16-32(34,35)14-10-6-7-13-24(28(42)40(25)18-20)38-30(45)47-31(2,3)4;1-22(2,3)35-21(34)27-16-7-5-4-6-8-24(25,26)11-14-10-23(14,20(32)33)12-18(30)17-9-15(29)13-28(17)19(16)31;1-2-7-10(11)13-9-6-4-3-5-8(9)12-7;1-4-5(2)3;;/h8-9,11-12,19-20,24-25H,5-7,10,13-18H2,1-4H3,(H,38,45)(H,39,41)(H,43,44);14-17,29H,4-13H2,1-3H3,(H,27,34)(H,32,33);3-6H,2H2,1H3;4H2,1-3H3;;1H2/q;;;-1;+1;/p-1/t19-,20-,24+,25+,33-;14-,15+,16-,17-,23+;;;;/m10..../s1.

What are the key properties of sodium;2-chloro-3-ethylquinoxaline;(1S,4R,6S,14S,18R)-8,8-difluoro-18-hydroxy-14-[(2-methylpropan-2-yl)oxycarbonylamino]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadecane-4-carboxylic acid;(1S,4R,6S,14S,18R)-18-(3-ethylquinoxalin-2-yl)oxy-8,8-difluoro-14-[(2-methylpropan-2-yl)oxycarbonylamino]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadecane-4-carboxylic acid;2-methylbutane;hydroxide?

sodium;2-chloro-3-ethylquinoxaline;(1S,4R,6S,14S,18R)-8,8-difluoro-18-hydroxy-14-[(2-methylpropan-2-yl)oxycarbonylamino]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadecane-4-carboxylic acid;(1S,4R,6S,14S,18R)-18-(3-ethylquinoxalin-2-yl)oxy-8,8-difluoro-14-[(2-methylpropan-2-yl)oxycarbonylamino]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadecane-4-carboxylic acid;2-methylbutane;hydroxide has a molecular weight of 1466.07 g/mol, XLogP of 8.95, 9 rotatable bonds, 6 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;2-chloro-3-ethylquinoxaline;(1S,4R,6S,14S,18R)-8,8-difluoro-18-hydroxy-14-[(2-methylpropan-2-yl)oxycarbonylamino]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadecane-4-carboxylic acid;(1S,4R,6S,14S,18R)-18-(3-ethylquinoxalin-2-yl)oxy-8,8-difluoro-14-[(2-methylpropan-2-yl)oxycarbonylamino]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadecane-4-carboxylic acid;2-methylbutane;hydroxide is sourced from PubChem (CID 160813292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).