7-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-1-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine;7-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-1-methylpyrido[2,3-b][1,4]oxazin-2-one;7-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-1H-pyrido[2,3-b][1,4]oxazin-2-one;2-[5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-2-pyridinyl]guanidine;6-(4-fluoro-3-methylphenyl)-7-quinolin-6-yl-1H-pyrido[2,3-b][1,4]oxazin-2-one

C105H77ClF5N17O7S3 — CID 157127507

About 7-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-1-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine;7-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-1-methylpyrido[2,3-b][1,4]oxazin-2-one;7-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-1H-pyrido[2,3-b][1,4]oxazin-2-one;2-[5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-2-pyridinyl]guanidine;6-(4-fluoro-3-methylphenyl)-7-quinolin-6-yl-1H-pyrido[2,3-b][1,4]oxazin-2-one

7-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-1-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine;7-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-1-methylpyrido[2,3-b][1,4]oxazin-2-one;7-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-1H-pyrido[2,3-b][1,4]oxazin-2-one;2-[5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-2-pyridinyl]guanidine;6-(4-fluoro-3-methylphenyl)-7-quinolin-6-yl-1H-pyrido[2,3-b][1,4]oxazin-2-one (PubChem CID 157127507) has the molecular formula C105H77ClF5N17O7S3 and a molecular weight of 1915.53 g/mol. Its IUPAC name is 7-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-1-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine;7-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-1-methylpyrido[2,3-b][1,4]oxazin-2-one;7-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-1H-pyrido[2,3-b][1,4]oxazin-2-one;2-[5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-2-pyridinyl]guanidine;6-(4-fluoro-3-methylphenyl)-7-quinolin-6-yl-1H-pyrido[2,3-b][1,4]oxazin-2-one.

Molecular Properties

• Compound Name: 7-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-1-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine;7-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-1-methylpyrido[2,3-b][1,4]oxazin-2-one;7-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-1H-pyrido[2,3-b][1,4]oxazin-2-one;2-[5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-2-pyridinyl]guanidine;6-(4-fluoro-3-methylphenyl)-7-quinolin-6-yl-1H-pyrido[2,3-b][1,4]oxazin-2-one
• PubChem CID: 157127507
• Molecular Formula: C105H77ClF5N17O7S3
• Molecular Weight: 1915.53 g/mol
• Exact Mass: 1913.50
• IUPAC Name: 7-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-1-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine;7-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-1-methylpyrido[2,3-b][1,4]oxazin-2-one;7-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-1H-pyrido[2,3-b][1,4]oxazin-2-one;2-[5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-2-pyridinyl]guanidine;6-(4-fluoro-3-methylphenyl)-7-quinolin-6-yl-1H-pyrido[2,3-b][1,4]oxazin-2-one
• SMILES: Cc1cc(-c2nc3c(cc2-c2ccc4ncccc4c2)NC(=O)CO3)ccc1F.Cc1cc(-c2nc3c(cc2-c2ccc4ncsc4c2)N(C)C(=O)CO3)ccc1F.Cc1cc(-c2nc3c(cc2-c2ccc4ncsc4c2)N(C)CCO3)ccc1F.Cc1cc(-c2nc3c(cc2-c2ccc4ncsc4c2)NC(=O)CO3)ccc1F.NC(N)=Nc1ccc(-c2cccnc2-c2ccc(F)c(Cl)c2)cn1
• InChI: InChI=1S/C23H16FN3O2.C22H16FN3O2S.C22H18FN3OS.C21H14FN3O2S.C17H13ClFN5/c1-13-9-16(4-6-18(13)24)22-17(11-20-23(27-22)29-12-21(28)26-20)14-5-7-19-15(10-14)3-2-8-25-19;1-12-7-14(3-5-16(12)23)21-15(13-4-6-17-19(8-13)29-11-24-17)9-18-22(25-21)28-10-20(27)26(18)2;1-13-9-15(3-5-17(13)23)21-16(11-19-22(25-21)27-8-7-26(19)2)14-4-6-18-20(10-14)28-12-24-18;1-11-6-13(2-4-15(11)22)20-14(8-17-21(25-20)27-9-19(26)24-17)12-3-5-16-18(7-12)28-10-23-16;18-13-8-10(3-5-14(13)19)16-12(2-1-7-22-16)11-4-6-15(23-9-11)24-17(20)21/h2-11H,12H2,1H3,(H,26,28);3-9,11H,10H2,1-2H3;3-6,9-12H,7-8H2,1-2H3;2-8,10H,9H2,1H3,(H,24,26);1-9H,(H4,20,21,23,24)
• InChIKey: AIRHAXASIRSXCR-UHFFFAOYSA-N
• XLogP: 23.18
• TPSA: 311.97 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 22
• Rotatable Bonds: 11
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1915.53
LogP ≤ 5	23.18
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-1-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine;7-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-1-methylpyrido[2,3-b][1,4]oxazin-2-one;7-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-1H-pyrido[2,3-b][1,4]oxazin-2-one;2-[5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-2-pyridinyl]guanidine;6-(4-fluoro-3-methylphenyl)-7-quinolin-6-yl-1H-pyrido[2,3-b][1,4]oxazin-2-one?

The IUPAC name of 7-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-1-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine;7-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-1-methylpyrido[2,3-b][1,4]oxazin-2-one;7-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-1H-pyrido[2,3-b][1,4]oxazin-2-one;2-[5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-2-pyridinyl]guanidine;6-(4-fluoro-3-methylphenyl)-7-quinolin-6-yl-1H-pyrido[2,3-b][1,4]oxazin-2-one (CID 157127507) is 7-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-1-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine;7-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-1-methylpyrido[2,3-b][1,4]oxazin-2-one;7-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-1H-pyrido[2,3-b][1,4]oxazin-2-one;2-[5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-2-pyridinyl]guanidine;6-(4-fluoro-3-methylphenyl)-7-quinolin-6-yl-1H-pyrido[2,3-b][1,4]oxazin-2-one.

What is the SMILES notation for 7-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-1-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine;7-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-1-methylpyrido[2,3-b][1,4]oxazin-2-one;7-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-1H-pyrido[2,3-b][1,4]oxazin-2-one;2-[5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-2-pyridinyl]guanidine;6-(4-fluoro-3-methylphenyl)-7-quinolin-6-yl-1H-pyrido[2,3-b][1,4]oxazin-2-one?

The canonical SMILES for 7-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-1-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine;7-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-1-methylpyrido[2,3-b][1,4]oxazin-2-one;7-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-1H-pyrido[2,3-b][1,4]oxazin-2-one;2-[5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-2-pyridinyl]guanidine;6-(4-fluoro-3-methylphenyl)-7-quinolin-6-yl-1H-pyrido[2,3-b][1,4]oxazin-2-one is Cc1cc(-c2nc3c(cc2-c2ccc4ncccc4c2)NC(=O)CO3)ccc1F.Cc1cc(-c2nc3c(cc2-c2ccc4ncsc4c2)N(C)C(=O)CO3)ccc1F.Cc1cc(-c2nc3c(cc2-c2ccc4ncsc4c2)N(C)CCO3)ccc1F.Cc1cc(-c2nc3c(cc2-c2ccc4ncsc4c2)NC(=O)CO3)ccc1F.NC(N)=Nc1ccc(-c2cccnc2-c2ccc(F)c(Cl)c2)cn1.

What is the InChIKey of 7-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-1-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine;7-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-1-methylpyrido[2,3-b][1,4]oxazin-2-one;7-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-1H-pyrido[2,3-b][1,4]oxazin-2-one;2-[5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-2-pyridinyl]guanidine;6-(4-fluoro-3-methylphenyl)-7-quinolin-6-yl-1H-pyrido[2,3-b][1,4]oxazin-2-one?

The InChIKey is AIRHAXASIRSXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16FN3O2.C22H16FN3O2S.C22H18FN3OS.C21H14FN3O2S.C17H13ClFN5/c1-13-9-16(4-6-18(13)24)22-17(11-20-23(27-22)29-12-21(28)26-20)14-5-7-19-15(10-14)3-2-8-25-19;1-12-7-14(3-5-16(12)23)21-15(13-4-6-17-19(8-13)29-11-24-17)9-18-22(25-21)28-10-20(27)26(18)2;1-13-9-15(3-5-17(13)23)21-16(11-19-22(25-21)27-8-7-26(19)2)14-4-6-18-20(10-14)28-12-24-18;1-11-6-13(2-4-15(11)22)20-14(8-17-21(25-20)27-9-19(26)24-17)12-3-5-16-18(7-12)28-10-23-16;18-13-8-10(3-5-14(13)19)16-12(2-1-7-22-16)11-4-6-15(23-9-11)24-17(20)21/h2-11H,12H2,1H3,(H,26,28);3-9,11H,10H2,1-2H3;3-6,9-12H,7-8H2,1-2H3;2-8,10H,9H2,1H3,(H,24,26);1-9H,(H4,20,21,23,24).

What are the key properties of 7-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-1-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine;7-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-1-methylpyrido[2,3-b][1,4]oxazin-2-one;7-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-1H-pyrido[2,3-b][1,4]oxazin-2-one;2-[5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-2-pyridinyl]guanidine;6-(4-fluoro-3-methylphenyl)-7-quinolin-6-yl-1H-pyrido[2,3-b][1,4]oxazin-2-one?

7-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-1-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine;7-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-1-methylpyrido[2,3-b][1,4]oxazin-2-one;7-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-1H-pyrido[2,3-b][1,4]oxazin-2-one;2-[5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-2-pyridinyl]guanidine;6-(4-fluoro-3-methylphenyl)-7-quinolin-6-yl-1H-pyrido[2,3-b][1,4]oxazin-2-one has a molecular weight of 1915.53 g/mol, XLogP of 23.18, 11 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-1-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine;7-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-1-methylpyrido[2,3-b][1,4]oxazin-2-one;7-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-1H-pyrido[2,3-b][1,4]oxazin-2-one;2-[5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-2-pyridinyl]guanidine;6-(4-fluoro-3-methylphenyl)-7-quinolin-6-yl-1H-pyrido[2,3-b][1,4]oxazin-2-one is sourced from PubChem (CID 157127507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).