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;6-(4-fluoro-3-methylphenyl)-1-methyl-7-quinolin-6-yl-2,3-dihydropyrido[2,3-b][1,4]oxazine;6-(4-fluoro-3-methylphenyl)-7-quinolin-6-yl-1H-pyrido[2,3-b][1,4]oxazin-2-one

C91H70F4N12O6S2 — CID 160609403

IUPAC7-(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;6-(4-fluoro-3-methylphenyl)-1-methyl-7-quinolin-6-yl-2,3-dihydropyrido[2,3-b][1,4]oxazine;6-(4-fluoro-3-methylphenyl)-7-quinolin-6-yl-1H-pyrido[2,3-b][1,4]oxazin-2-one
SMILESCc1cc(-c2nc3c(cc2-c2ccc4ncccc4c2)N(C)CCO3)ccc1F.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
InChIInChI=1S/C24H20FN3O.C23H16FN3O2.C22H16FN3O2S.C22H18FN3OS/c1-15-12-18(5-7-20(15)25)23-19(14-22-24(27-23)29-11-10-28(22)2)16-6-8-21-17(13-16)4-3-9-26-21;1-13-9-16(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/h3-9,12-14H,10-11H2,1-2H3;2-11H,12H2,1H3,(H,26,28);3-9,11H,10H2,1-2H3;3-6,9-12H,7-8H2,1-2H3
InChIKeyRFHUISIMIPTRBJ-UHFFFAOYSA-N
MW1567.76 g/mol
LogP20.11
Rot. Bonds8

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;6-(4-fluoro-3-methylphenyl)-1-methyl-7-quinolin-6-yl-2,3-dihydropyrido[2,3-b][1,4]oxazine;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;6-(4-fluoro-3-methylphenyl)-1-methyl-7-quinolin-6-yl-2,3-dihydropyrido[2,3-b][1,4]oxazine;6-(4-fluoro-3-methylphenyl)-7-quinolin-6-yl-1H-pyrido[2,3-b][1,4]oxazin-2-one (PubChem CID 160609403) has the molecular formula C91H70F4N12O6S2 and a molecular weight of 1567.76 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;6-(4-fluoro-3-methylphenyl)-1-methyl-7-quinolin-6-yl-2,3-dihydropyrido[2,3-b][1,4]oxazine;6-(4-fluoro-3-methylphenyl)-7-quinolin-6-yl-1H-pyrido[2,3-b][1,4]oxazin-2-one.

Molecular Properties

Compound Name7-(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;6-(4-fluoro-3-methylphenyl)-1-methyl-7-quinolin-6-yl-2,3-dihydropyrido[2,3-b][1,4]oxazine;6-(4-fluoro-3-methylphenyl)-7-quinolin-6-yl-1H-pyrido[2,3-b][1,4]oxazin-2-one
PubChem CID160609403
Molecular FormulaC91H70F4N12O6S2
Molecular Weight1567.76 g/mol
Exact Mass1566.49
IUPAC Name7-(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;6-(4-fluoro-3-methylphenyl)-1-methyl-7-quinolin-6-yl-2,3-dihydropyrido[2,3-b][1,4]oxazine;6-(4-fluoro-3-methylphenyl)-7-quinolin-6-yl-1H-pyrido[2,3-b][1,4]oxazin-2-one
SMILESCc1cc(-c2nc3c(cc2-c2ccc4ncccc4c2)N(C)CCO3)ccc1F.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
InChIInChI=1S/C24H20FN3O.C23H16FN3O2.C22H16FN3O2S.C22H18FN3OS/c1-15-12-18(5-7-20(15)25)23-19(14-22-24(27-23)29-11-10-28(22)2)16-6-8-21-17(13-16)4-3-9-26-21;1-13-9-16(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/h3-9,12-14H,10-11H2,1-2H3;2-11H,12H2,1H3,(H,26,28);3-9,11H,10H2,1-2H3;3-6,9-12H,7-8H2,1-2H3
InChIKeyRFHUISIMIPTRBJ-UHFFFAOYSA-N
XLogP20.11
TPSA195.93 Ų
H-Bond Donors1
H-Bond Acceptors18
Rotatable Bonds8
Heavy Atoms115
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001567.76
LogP ≤ 520.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1018

Analyze 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;6-(4-fluoro-3-methylphenyl)-1-methyl-7-quinolin-6-yl-2,3-dihydropyrido[2,3-b][1,4]oxazine;6-(4-fluoro-3-methylphenyl)-7-quinolin-6-yl-1H-pyrido[2,3-b][1,4]oxazin-2-one with MolForge

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Related Compounds

7-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-1H-pyrido[2,3-b][1,4]oxazin-2-one
CID 90095668
7-(1,3-Benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-1-methylpyrido[2,3-b][1,4]oxazin-2-one
CID 90096128
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
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;3-[7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridin-3-yl]aniline;6-(4-fluoro-3-methylphenyl)-7-quinolin-6-yl-1H-pyrido[2,3-b][1,4]oxazin-2-one
CID 158921028
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;6-(4-fluoro-3-methylphenyl)-7-quinolin-6-yl-1H-pyrido[2,3-b][1,4]oxazin-2-one
CID 160007502
5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[(4-morpholin-4-ylphenyl)methyl]pyridin-3-amine;4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-2-methylphenol;2-[5-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-2-methylphenoxy]acetamide
CID 160521433
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 161010208

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;6-(4-fluoro-3-methylphenyl)-1-methyl-7-quinolin-6-yl-2,3-dihydropyrido[2,3-b][1,4]oxazine;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;6-(4-fluoro-3-methylphenyl)-1-methyl-7-quinolin-6-yl-2,3-dihydropyrido[2,3-b][1,4]oxazine;6-(4-fluoro-3-methylphenyl)-7-quinolin-6-yl-1H-pyrido[2,3-b][1,4]oxazin-2-one (CID 160609403) 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;6-(4-fluoro-3-methylphenyl)-1-methyl-7-quinolin-6-yl-2,3-dihydropyrido[2,3-b][1,4]oxazine;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;6-(4-fluoro-3-methylphenyl)-1-methyl-7-quinolin-6-yl-2,3-dihydropyrido[2,3-b][1,4]oxazine;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;6-(4-fluoro-3-methylphenyl)-1-methyl-7-quinolin-6-yl-2,3-dihydropyrido[2,3-b][1,4]oxazine;6-(4-fluoro-3-methylphenyl)-7-quinolin-6-yl-1H-pyrido[2,3-b][1,4]oxazin-2-one is Cc1cc(-c2nc3c(cc2-c2ccc4ncccc4c2)N(C)CCO3)ccc1F.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.
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;6-(4-fluoro-3-methylphenyl)-1-methyl-7-quinolin-6-yl-2,3-dihydropyrido[2,3-b][1,4]oxazine;6-(4-fluoro-3-methylphenyl)-7-quinolin-6-yl-1H-pyrido[2,3-b][1,4]oxazin-2-one?
The InChIKey is RFHUISIMIPTRBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3O.C23H16FN3O2.C22H16FN3O2S.C22H18FN3OS/c1-15-12-18(5-7-20(15)25)23-19(14-22-24(27-23)29-11-10-28(22)2)16-6-8-21-17(13-16)4-3-9-26-21;1-13-9-16(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/h3-9,12-14H,10-11H2,1-2H3;2-11H,12H2,1H3,(H,26,28);3-9,11H,10H2,1-2H3;3-6,9-12H,7-8H2,1-2H3.
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;6-(4-fluoro-3-methylphenyl)-1-methyl-7-quinolin-6-yl-2,3-dihydropyrido[2,3-b][1,4]oxazine;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;6-(4-fluoro-3-methylphenyl)-1-methyl-7-quinolin-6-yl-2,3-dihydropyrido[2,3-b][1,4]oxazine;6-(4-fluoro-3-methylphenyl)-7-quinolin-6-yl-1H-pyrido[2,3-b][1,4]oxazin-2-one has a molecular weight of 1567.76 g/mol, XLogP of 20.11, 8 rotatable bonds, 1 hydrogen bond donors, and 18 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;6-(4-fluoro-3-methylphenyl)-1-methyl-7-quinolin-6-yl-2,3-dihydropyrido[2,3-b][1,4]oxazine;6-(4-fluoro-3-methylphenyl)-7-quinolin-6-yl-1H-pyrido[2,3-b][1,4]oxazin-2-one is sourced from PubChem (CID 160609403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).