cesium;2-amino-4-bromo-5-chloro-3-fluorobenzoic acid;2-amino-4-bromo-3-fluorobenzoic acid;7-bromo-6-chloro-2,8-difluoro-4-[(2S)-2-methylpiperidin-1-yl]quinazoline;7-bromo-6-chloro-8-fluoro-1H-quinazoline-2,4-dione;7-bromo-2,6-dichloro-8-fluoro-4-[(2S)-2-methylpiperidin-1-yl]quinazoline;7-bromo-2,4,6-trichloro-8-fluoroquinazoline;(2S)-2-methylpiperidine;fluoride

C64H52Br6Cl8CsF8N13O6 — CID 163964515

About cesium;2-amino-4-bromo-5-chloro-3-fluorobenzoic acid;2-amino-4-bromo-3-fluorobenzoic acid;7-bromo-6-chloro-2,8-difluoro-4-[(2S)-2-methylpiperidin-1-yl]quinazoline;7-bromo-6-chloro-8-fluoro-1H-quinazoline-2,4-dione;7-bromo-2,6-dichloro-8-fluoro-4-[(2S)-2-methylpiperidin-1-yl]quinazoline;7-bromo-2,4,6-trichloro-8-fluoroquinazoline;(2S)-2-methylpiperidine;fluoride

cesium;2-amino-4-bromo-5-chloro-3-fluorobenzoic acid;2-amino-4-bromo-3-fluorobenzoic acid;7-bromo-6-chloro-2,8-difluoro-4-[(2S)-2-methylpiperidin-1-yl]quinazoline;7-bromo-6-chloro-8-fluoro-1H-quinazoline-2,4-dione;7-bromo-2,6-dichloro-8-fluoro-4-[(2S)-2-methylpiperidin-1-yl]quinazoline;7-bromo-2,4,6-trichloro-8-fluoroquinazoline;(2S)-2-methylpiperidine;fluoride (PubChem CID 163964515) has the molecular formula C64H52Br6Cl8CsF8N13O6 and a molecular weight of 2147.14 g/mol. Its IUPAC name is cesium;2-amino-4-bromo-5-chloro-3-fluorobenzoic acid;2-amino-4-bromo-3-fluorobenzoic acid;7-bromo-6-chloro-2,8-difluoro-4-[(2S)-2-methylpiperidin-1-yl]quinazoline;7-bromo-6-chloro-8-fluoro-1H-quinazoline-2,4-dione;7-bromo-2,6-dichloro-8-fluoro-4-[(2S)-2-methylpiperidin-1-yl]quinazoline;7-bromo-2,4,6-trichloro-8-fluoroquinazoline;(2S)-2-methylpiperidine;fluoride.

Molecular Properties

• Compound Name: cesium;2-amino-4-bromo-5-chloro-3-fluorobenzoic acid;2-amino-4-bromo-3-fluorobenzoic acid;7-bromo-6-chloro-2,8-difluoro-4-[(2S)-2-methylpiperidin-1-yl]quinazoline;7-bromo-6-chloro-8-fluoro-1H-quinazoline-2,4-dione;7-bromo-2,6-dichloro-8-fluoro-4-[(2S)-2-methylpiperidin-1-yl]quinazoline;7-bromo-2,4,6-trichloro-8-fluoroquinazoline;(2S)-2-methylpiperidine;fluoride
• PubChem CID: 163964515
• Molecular Formula: C64H52Br6Cl8CsF8N13O6
• Molecular Weight: 2147.14 g/mol
• Exact Mass: 2136.57
• IUPAC Name: cesium;2-amino-4-bromo-5-chloro-3-fluorobenzoic acid;2-amino-4-bromo-3-fluorobenzoic acid;7-bromo-6-chloro-2,8-difluoro-4-[(2S)-2-methylpiperidin-1-yl]quinazoline;7-bromo-6-chloro-8-fluoro-1H-quinazoline-2,4-dione;7-bromo-2,6-dichloro-8-fluoro-4-[(2S)-2-methylpiperidin-1-yl]quinazoline;7-bromo-2,4,6-trichloro-8-fluoroquinazoline;(2S)-2-methylpiperidine;fluoride
• SMILES: C[C@H]1CCCCN1.C[C@H]1CCCCN1c1nc(Cl)nc2c(F)c(Br)c(Cl)cc12.C[C@H]1CCCCN1c1nc(F)nc2c(F)c(Br)c(Cl)cc12.Fc1c(Br)c(Cl)cc2c(Cl)nc(Cl)nc12.Nc1c(C(=O)O)cc(Cl)c(Br)c1F.Nc1c(C(=O)O)ccc(Br)c1F.O=c1[nH]c(=O)c2cc(Cl)c(Br)c(F)c2[nH]1.[Cs+].[F-]
• InChI: InChI=1S/C14H13BrCl2FN3.C14H13BrClF2N3.C8HBrCl3FN2.C8H3BrClFN2O2.C7H4BrClFNO2.C7H5BrFNO2.C6H13N.Cs.FH/c1-7-4-2-3-5-21(7)13-8-6-9(16)10(15)11(18)12(8)19-14(17)20-13;1-7-4-2-3-5-21(7)13-8-6-9(16)10(15)11(17)12(8)19-14(18)20-13;9-4-3(10)1-2-6(5(4)13)14-8(12)15-7(2)11;9-4-3(10)1-2-6(5(4)11)12-8(15)13-7(2)14;8-4-3(9)1-2(7(12)13)6(11)5(4)10;8-4-2-1-3(7(11)12)6(10)5(4)9;1-6-4-2-3-5-7-6;;/h2*6-7H,2-5H2,1H3;1H;1H,(H2,12,13,14,15);1H,11H2,(H,12,13);1-2H,10H2,(H,11,12);6-7H,2-5H2,1H3;;1H/q;;;;;;;+1;/p-1/t2*7-;;;;;6-;;/m00....0../s1
• InChIKey: SKMGCWFVUDSYTB-PWPDAAJHSA-M
• XLogP: 15.73
• TPSA: 288.21 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 15
• Rotatable Bonds: 4
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2147.14
LogP ≤ 5	15.73
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of cesium;2-amino-4-bromo-5-chloro-3-fluorobenzoic acid;2-amino-4-bromo-3-fluorobenzoic acid;7-bromo-6-chloro-2,8-difluoro-4-[(2S)-2-methylpiperidin-1-yl]quinazoline;7-bromo-6-chloro-8-fluoro-1H-quinazoline-2,4-dione;7-bromo-2,6-dichloro-8-fluoro-4-[(2S)-2-methylpiperidin-1-yl]quinazoline;7-bromo-2,4,6-trichloro-8-fluoroquinazoline;(2S)-2-methylpiperidine;fluoride?

The IUPAC name of cesium;2-amino-4-bromo-5-chloro-3-fluorobenzoic acid;2-amino-4-bromo-3-fluorobenzoic acid;7-bromo-6-chloro-2,8-difluoro-4-[(2S)-2-methylpiperidin-1-yl]quinazoline;7-bromo-6-chloro-8-fluoro-1H-quinazoline-2,4-dione;7-bromo-2,6-dichloro-8-fluoro-4-[(2S)-2-methylpiperidin-1-yl]quinazoline;7-bromo-2,4,6-trichloro-8-fluoroquinazoline;(2S)-2-methylpiperidine;fluoride (CID 163964515) is cesium;2-amino-4-bromo-5-chloro-3-fluorobenzoic acid;2-amino-4-bromo-3-fluorobenzoic acid;7-bromo-6-chloro-2,8-difluoro-4-[(2S)-2-methylpiperidin-1-yl]quinazoline;7-bromo-6-chloro-8-fluoro-1H-quinazoline-2,4-dione;7-bromo-2,6-dichloro-8-fluoro-4-[(2S)-2-methylpiperidin-1-yl]quinazoline;7-bromo-2,4,6-trichloro-8-fluoroquinazoline;(2S)-2-methylpiperidine;fluoride.

What is the SMILES notation for cesium;2-amino-4-bromo-5-chloro-3-fluorobenzoic acid;2-amino-4-bromo-3-fluorobenzoic acid;7-bromo-6-chloro-2,8-difluoro-4-[(2S)-2-methylpiperidin-1-yl]quinazoline;7-bromo-6-chloro-8-fluoro-1H-quinazoline-2,4-dione;7-bromo-2,6-dichloro-8-fluoro-4-[(2S)-2-methylpiperidin-1-yl]quinazoline;7-bromo-2,4,6-trichloro-8-fluoroquinazoline;(2S)-2-methylpiperidine;fluoride?

The canonical SMILES for cesium;2-amino-4-bromo-5-chloro-3-fluorobenzoic acid;2-amino-4-bromo-3-fluorobenzoic acid;7-bromo-6-chloro-2,8-difluoro-4-[(2S)-2-methylpiperidin-1-yl]quinazoline;7-bromo-6-chloro-8-fluoro-1H-quinazoline-2,4-dione;7-bromo-2,6-dichloro-8-fluoro-4-[(2S)-2-methylpiperidin-1-yl]quinazoline;7-bromo-2,4,6-trichloro-8-fluoroquinazoline;(2S)-2-methylpiperidine;fluoride is C[C@H]1CCCCN1.C[C@H]1CCCCN1c1nc(Cl)nc2c(F)c(Br)c(Cl)cc12.C[C@H]1CCCCN1c1nc(F)nc2c(F)c(Br)c(Cl)cc12.Fc1c(Br)c(Cl)cc2c(Cl)nc(Cl)nc12.Nc1c(C(=O)O)cc(Cl)c(Br)c1F.Nc1c(C(=O)O)ccc(Br)c1F.O=c1[nH]c(=O)c2cc(Cl)c(Br)c(F)c2[nH]1.[Cs+].[F-].

What is the InChIKey of cesium;2-amino-4-bromo-5-chloro-3-fluorobenzoic acid;2-amino-4-bromo-3-fluorobenzoic acid;7-bromo-6-chloro-2,8-difluoro-4-[(2S)-2-methylpiperidin-1-yl]quinazoline;7-bromo-6-chloro-8-fluoro-1H-quinazoline-2,4-dione;7-bromo-2,6-dichloro-8-fluoro-4-[(2S)-2-methylpiperidin-1-yl]quinazoline;7-bromo-2,4,6-trichloro-8-fluoroquinazoline;(2S)-2-methylpiperidine;fluoride?

The InChIKey is SKMGCWFVUDSYTB-PWPDAAJHSA-M. The full InChI is InChI=1S/C14H13BrCl2FN3.C14H13BrClF2N3.C8HBrCl3FN2.C8H3BrClFN2O2.C7H4BrClFNO2.C7H5BrFNO2.C6H13N.Cs.FH/c1-7-4-2-3-5-21(7)13-8-6-9(16)10(15)11(18)12(8)19-14(17)20-13;1-7-4-2-3-5-21(7)13-8-6-9(16)10(15)11(17)12(8)19-14(18)20-13;9-4-3(10)1-2-6(5(4)13)14-8(12)15-7(2)11;9-4-3(10)1-2-6(5(4)11)12-8(15)13-7(2)14;8-4-3(9)1-2(7(12)13)6(11)5(4)10;8-4-2-1-3(7(11)12)6(10)5(4)9;1-6-4-2-3-5-7-6;;/h2*6-7H,2-5H2,1H3;1H;1H,(H2,12,13,14,15);1H,11H2,(H,12,13);1-2H,10H2,(H,11,12);6-7H,2-5H2,1H3;;1H/q;;;;;;;+1;/p-1/t2*7-;;;;;6-;;/m00....0../s1.

What are the key properties of cesium;2-amino-4-bromo-5-chloro-3-fluorobenzoic acid;2-amino-4-bromo-3-fluorobenzoic acid;7-bromo-6-chloro-2,8-difluoro-4-[(2S)-2-methylpiperidin-1-yl]quinazoline;7-bromo-6-chloro-8-fluoro-1H-quinazoline-2,4-dione;7-bromo-2,6-dichloro-8-fluoro-4-[(2S)-2-methylpiperidin-1-yl]quinazoline;7-bromo-2,4,6-trichloro-8-fluoroquinazoline;(2S)-2-methylpiperidine;fluoride?

cesium;2-amino-4-bromo-5-chloro-3-fluorobenzoic acid;2-amino-4-bromo-3-fluorobenzoic acid;7-bromo-6-chloro-2,8-difluoro-4-[(2S)-2-methylpiperidin-1-yl]quinazoline;7-bromo-6-chloro-8-fluoro-1H-quinazoline-2,4-dione;7-bromo-2,6-dichloro-8-fluoro-4-[(2S)-2-methylpiperidin-1-yl]quinazoline;7-bromo-2,4,6-trichloro-8-fluoroquinazoline;(2S)-2-methylpiperidine;fluoride has a molecular weight of 2147.14 g/mol, XLogP of 15.73, 4 rotatable bonds, 7 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for cesium;2-amino-4-bromo-5-chloro-3-fluorobenzoic acid;2-amino-4-bromo-3-fluorobenzoic acid;7-bromo-6-chloro-2,8-difluoro-4-[(2S)-2-methylpiperidin-1-yl]quinazoline;7-bromo-6-chloro-8-fluoro-1H-quinazoline-2,4-dione;7-bromo-2,6-dichloro-8-fluoro-4-[(2S)-2-methylpiperidin-1-yl]quinazoline;7-bromo-2,4,6-trichloro-8-fluoroquinazoline;(2S)-2-methylpiperidine;fluoride is sourced from PubChem (CID 163964515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).