7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide;7-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-1-methylquinoxalin-2-one;7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1H-quinoxalin-2-one;7-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-1H-quinoxalin-2-one;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1-methylquinoxalin-2-one;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-quinoxalin-2-one

C117H76Cl4F6N18O7S — CID 158782033

IUPAC7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide;7-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-1-methylquinoxalin-2-one;7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1H-quinoxalin-2-one;7-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-1H-quinoxalin-2-one;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1-methylquinoxalin-2-one;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-quinoxalin-2-one
SMILESCc1cc(-c2ncccc2-c2ccc3ncc(=O)[nH]c3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3ncc(=O)n(C)c3c2)ccc1F.Cn1c(=O)cnc2ccc(-c3cccnc3-c3cc(Cl)ccc3F)cc21.O=S1(=O)N=CNc2ccc(-c3cccnc3-c3ccc(F)c(Cl)c3)cc21.O=c1cnc2ccc(-c3cccnc3-c3cc(Cl)ccc3F)cc2[nH]1.O=c1cnc2ccc(-c3cccnc3-c3ccc(F)c(Cl)c3)cc2[nH]1
InChIInChI=1S/C21H16FN3O.C20H13ClFN3O.C20H14FN3O.2C19H11ClFN3O.C18H11ClFN3O2S/c1-13-10-15(5-7-17(13)22)21-16(4-3-9-23-21)14-6-8-18-19(11-14)25(2)20(26)12-24-18;1-25-18-9-12(4-7-17(18)24-11-19(25)26)14-3-2-8-23-20(14)15-10-13(21)5-6-16(15)22;1-12-9-14(4-6-16(12)21)20-15(3-2-8-22-20)13-5-7-17-18(10-13)24-19(25)11-23-17;20-12-4-5-15(21)14(9-12)19-13(2-1-7-22-19)11-3-6-16-17(8-11)24-18(25)10-23-16;20-14-8-12(3-5-15(14)21)19-13(2-1-7-22-19)11-4-6-16-17(9-11)24-18(25)10-23-16;19-14-8-12(3-5-15(14)20)18-13(2-1-7-21-18)11-4-6-16-17(9-11)26(24,25)23-10-22-16/h3-12H,1-2H3;2-11H,1H3;2-11H,1H3,(H,24,25);2*1-10H,(H,24,25);1-10H,(H,22,23)
InChIKeyIREVRVPXINEBJD-UHFFFAOYSA-N
MW2133.88 g/mol
LogP25.90
Rot. Bonds12

About 7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide;7-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-1-methylquinoxalin-2-one;7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1H-quinoxalin-2-one;7-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-1H-quinoxalin-2-one;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1-methylquinoxalin-2-one;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-quinoxalin-2-one

7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide;7-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-1-methylquinoxalin-2-one;7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1H-quinoxalin-2-one;7-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-1H-quinoxalin-2-one;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1-methylquinoxalin-2-one;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-quinoxalin-2-one (PubChem CID 158782033) has the molecular formula C117H76Cl4F6N18O7S and a molecular weight of 2133.88 g/mol. Its IUPAC name is 7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide;7-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-1-methylquinoxalin-2-one;7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1H-quinoxalin-2-one;7-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-1H-quinoxalin-2-one;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1-methylquinoxalin-2-one;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-quinoxalin-2-one.

Molecular Properties

Compound Name7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide;7-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-1-methylquinoxalin-2-one;7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1H-quinoxalin-2-one;7-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-1H-quinoxalin-2-one;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1-methylquinoxalin-2-one;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-quinoxalin-2-one
PubChem CID158782033
Molecular FormulaC117H76Cl4F6N18O7S
Molecular Weight2133.88 g/mol
Exact Mass2130.45
IUPAC Name7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide;7-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-1-methylquinoxalin-2-one;7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1H-quinoxalin-2-one;7-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-1H-quinoxalin-2-one;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1-methylquinoxalin-2-one;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-quinoxalin-2-one
SMILESCc1cc(-c2ncccc2-c2ccc3ncc(=O)[nH]c3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3ncc(=O)n(C)c3c2)ccc1F.Cn1c(=O)cnc2ccc(-c3cccnc3-c3cc(Cl)ccc3F)cc21.O=S1(=O)N=CNc2ccc(-c3cccnc3-c3ccc(F)c(Cl)c3)cc21.O=c1cnc2ccc(-c3cccnc3-c3cc(Cl)ccc3F)cc2[nH]1.O=c1cnc2ccc(-c3cccnc3-c3ccc(F)c(Cl)c3)cc2[nH]1
InChIInChI=1S/C21H16FN3O.C20H13ClFN3O.C20H14FN3O.2C19H11ClFN3O.C18H11ClFN3O2S/c1-13-10-15(5-7-17(13)22)21-16(4-3-9-23-21)14-6-8-18-19(11-14)25(2)20(26)12-24-18;1-25-18-9-12(4-7-17(18)24-11-19(25)26)14-3-2-8-23-20(14)15-10-13(21)5-6-16(15)22;1-12-9-14(4-6-16(12)21)20-15(3-2-8-22-20)13-5-7-17-18(10-13)24-19(25)11-23-17;20-12-4-5-15(21)14(9-12)19-13(2-1-7-22-19)11-3-6-16-17(8-11)24-18(25)10-23-16;20-14-8-12(3-5-15(14)21)19-13(2-1-7-22-19)11-4-6-16-17(9-11)24-18(25)10-23-16;19-14-8-12(3-5-15(14)20)18-13(2-1-7-21-18)11-4-6-16-17(9-11)26(24,25)23-10-22-16/h3-12H,1-2H3;2-11H,1H3;2-11H,1H3,(H,24,25);2*1-10H,(H,24,25);1-10H,(H,22,23)
InChIKeyIREVRVPXINEBJD-UHFFFAOYSA-N
XLogP25.90
TPSA342.90 Ų
H-Bond Donors4
H-Bond Acceptors21
Rotatable Bonds12
Heavy Atoms153
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002133.88
LogP ≤ 525.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Analyze 7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide;7-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-1-methylquinoxalin-2-one;7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1H-quinoxalin-2-one;7-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-1H-quinoxalin-2-one;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1-methylquinoxalin-2-one;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-quinoxalin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1-methylquinoxalin-2-one;7-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-1-methylquinoxalin-2-one;7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1H-quinoxalin-2-one;7-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-1H-quinoxalin-2-one;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1-methylquinoxalin-2-one;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-quinoxalin-2-one
CID 157711717
7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-4H-1lambda6,2,4-benzothiadiazine 1,1-dioxide;7-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-4H-1lambda6,2,4-benzothiadiazine 1,1-dioxide;7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1H-quinoxalin-2-one;7-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-1H-quinoxalin-2-one;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4H-1lambda6,2,4-benzothiadiazine 1,1-dioxide;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-quinoxalin-2-one
CID 160615308
tert-butyl 3-[2-[7-[6-chloro-5-[(4-fluorophenyl)sulfonylamino]-3-pyridinyl]quinoxalin-2-yl]ethyl]piperidine-1-carboxylate;N-[2-chloro-5-[3-(2-cyclohexylethyl)quinoxalin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 160859960

Frequently Asked Questions

What is the IUPAC name of 7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide;7-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-1-methylquinoxalin-2-one;7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1H-quinoxalin-2-one;7-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-1H-quinoxalin-2-one;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1-methylquinoxalin-2-one;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-quinoxalin-2-one?
The IUPAC name of 7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide;7-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-1-methylquinoxalin-2-one;7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1H-quinoxalin-2-one;7-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-1H-quinoxalin-2-one;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1-methylquinoxalin-2-one;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-quinoxalin-2-one (CID 158782033) is 7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide;7-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-1-methylquinoxalin-2-one;7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1H-quinoxalin-2-one;7-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-1H-quinoxalin-2-one;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1-methylquinoxalin-2-one;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-quinoxalin-2-one.
What is the SMILES notation for 7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide;7-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-1-methylquinoxalin-2-one;7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1H-quinoxalin-2-one;7-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-1H-quinoxalin-2-one;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1-methylquinoxalin-2-one;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-quinoxalin-2-one?
The canonical SMILES for 7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide;7-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-1-methylquinoxalin-2-one;7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1H-quinoxalin-2-one;7-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-1H-quinoxalin-2-one;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1-methylquinoxalin-2-one;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-quinoxalin-2-one is Cc1cc(-c2ncccc2-c2ccc3ncc(=O)[nH]c3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3ncc(=O)n(C)c3c2)ccc1F.Cn1c(=O)cnc2ccc(-c3cccnc3-c3cc(Cl)ccc3F)cc21.O=S1(=O)N=CNc2ccc(-c3cccnc3-c3ccc(F)c(Cl)c3)cc21.O=c1cnc2ccc(-c3cccnc3-c3cc(Cl)ccc3F)cc2[nH]1.O=c1cnc2ccc(-c3cccnc3-c3ccc(F)c(Cl)c3)cc2[nH]1.
What is the InChIKey of 7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide;7-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-1-methylquinoxalin-2-one;7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1H-quinoxalin-2-one;7-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-1H-quinoxalin-2-one;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1-methylquinoxalin-2-one;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-quinoxalin-2-one?
The InChIKey is IREVRVPXINEBJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3O.C20H13ClFN3O.C20H14FN3O.2C19H11ClFN3O.C18H11ClFN3O2S/c1-13-10-15(5-7-17(13)22)21-16(4-3-9-23-21)14-6-8-18-19(11-14)25(2)20(26)12-24-18;1-25-18-9-12(4-7-17(18)24-11-19(25)26)14-3-2-8-23-20(14)15-10-13(21)5-6-16(15)22;1-12-9-14(4-6-16(12)21)20-15(3-2-8-22-20)13-5-7-17-18(10-13)24-19(25)11-23-17;20-12-4-5-15(21)14(9-12)19-13(2-1-7-22-19)11-3-6-16-17(8-11)24-18(25)10-23-16;20-14-8-12(3-5-15(14)21)19-13(2-1-7-22-19)11-4-6-16-17(9-11)24-18(25)10-23-16;19-14-8-12(3-5-15(14)20)18-13(2-1-7-21-18)11-4-6-16-17(9-11)26(24,25)23-10-22-16/h3-12H,1-2H3;2-11H,1H3;2-11H,1H3,(H,24,25);2*1-10H,(H,24,25);1-10H,(H,22,23).
What are the key properties of 7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide;7-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-1-methylquinoxalin-2-one;7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1H-quinoxalin-2-one;7-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-1H-quinoxalin-2-one;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1-methylquinoxalin-2-one;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-quinoxalin-2-one?
7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide;7-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-1-methylquinoxalin-2-one;7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1H-quinoxalin-2-one;7-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-1H-quinoxalin-2-one;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1-methylquinoxalin-2-one;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-quinoxalin-2-one has a molecular weight of 2133.88 g/mol, XLogP of 25.90, 12 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide;7-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-1-methylquinoxalin-2-one;7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1H-quinoxalin-2-one;7-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-1H-quinoxalin-2-one;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1-methylquinoxalin-2-one;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-quinoxalin-2-one is sourced from PubChem (CID 158782033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).