3-(3-fluoro-4-methylphenyl)-9-methyl-2,4-dihydropyrido[3,2-h][1,3]benzoxazine;3-pyridin-4-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine;3-pyrimidin-2-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine;8-[3-(trifluoromethyl)phenyl]-7,10-dihydropyrido[3,2-h][2,3]benzoxazine

C60H51F4N11O4 — CID 158930906

About 3-(3-fluoro-4-methylphenyl)-9-methyl-2,4-dihydropyrido[3,2-h][1,3]benzoxazine;3-pyridin-4-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine;3-pyrimidin-2-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine;8-[3-(trifluoromethyl)phenyl]-7,10-dihydropyrido[3,2-h][2,3]benzoxazine

3-(3-fluoro-4-methylphenyl)-9-methyl-2,4-dihydropyrido[3,2-h][1,3]benzoxazine;3-pyridin-4-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine;3-pyrimidin-2-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine;8-[3-(trifluoromethyl)phenyl]-7,10-dihydropyrido[3,2-h][2,3]benzoxazine (PubChem CID 158930906) has the molecular formula C60H51F4N11O4 and a molecular weight of 1066.13 g/mol. Its IUPAC name is 3-(3-fluoro-4-methylphenyl)-9-methyl-2,4-dihydropyrido[3,2-h][1,3]benzoxazine;3-pyridin-4-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine;3-pyrimidin-2-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine;8-[3-(trifluoromethyl)phenyl]-7,10-dihydropyrido[3,2-h][2,3]benzoxazine.

Molecular Properties

• Compound Name: 3-(3-fluoro-4-methylphenyl)-9-methyl-2,4-dihydropyrido[3,2-h][1,3]benzoxazine;3-pyridin-4-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine;3-pyrimidin-2-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine;8-[3-(trifluoromethyl)phenyl]-7,10-dihydropyrido[3,2-h][2,3]benzoxazine
• PubChem CID: 158930906
• Molecular Formula: C60H51F4N11O4
• Molecular Weight: 1066.13 g/mol
• Exact Mass: 1065.41
• IUPAC Name: 3-(3-fluoro-4-methylphenyl)-9-methyl-2,4-dihydropyrido[3,2-h][1,3]benzoxazine;3-pyridin-4-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine;3-pyrimidin-2-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine;8-[3-(trifluoromethyl)phenyl]-7,10-dihydropyrido[3,2-h][2,3]benzoxazine
• SMILES: Cc1ccc2ccc3c(c2n1)OCN(c1ccc(C)c(F)c1)C3.FC(F)(F)c1cccc(N2Cc3ccc4cccnc4c3CO2)c1.c1cnc(N2COc3ncccc3C2)nc1.c1cnc2c(c1)CN(c1ccncc1)CO2
• InChI: InChI=1S/C19H17FN2O.C18H13F3N2O.C12H11N3O.C11H10N4O/c1-12-3-8-16(9-17(12)20)22-10-15-7-6-14-5-4-13(2)21-18(14)19(15)23-11-22;19-18(20,21)14-4-1-5-15(9-14)23-10-13-7-6-12-3-2-8-22-17(12)16(13)11-24-23;1-2-10-8-15(9-16-12(10)14-5-1)11-3-6-13-7-4-11;1-3-9-7-15(8-16-10(9)12-4-1)11-13-5-2-6-14-11/h3-9H,10-11H2,1-2H3;1-9H,10-11H2;1-7H,8-9H2;1-6H,7-8H2
• InChIKey: JJARLQHQUXYJPD-UHFFFAOYSA-N
• XLogP: 12.11
• TPSA: 140.11 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 4
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1066.13
LogP ≤ 5	12.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4-methylphenyl)-9-methyl-2,4-dihydropyrido[3,2-h][1,3]benzoxazine;3-pyridin-4-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine;3-pyrimidin-2-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine;8-[3-(trifluoromethyl)phenyl]-7,10-dihydropyrido[3,2-h][2,3]benzoxazine?

The IUPAC name of 3-(3-fluoro-4-methylphenyl)-9-methyl-2,4-dihydropyrido[3,2-h][1,3]benzoxazine;3-pyridin-4-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine;3-pyrimidin-2-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine;8-[3-(trifluoromethyl)phenyl]-7,10-dihydropyrido[3,2-h][2,3]benzoxazine (CID 158930906) is 3-(3-fluoro-4-methylphenyl)-9-methyl-2,4-dihydropyrido[3,2-h][1,3]benzoxazine;3-pyridin-4-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine;3-pyrimidin-2-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine;8-[3-(trifluoromethyl)phenyl]-7,10-dihydropyrido[3,2-h][2,3]benzoxazine.

What is the SMILES notation for 3-(3-fluoro-4-methylphenyl)-9-methyl-2,4-dihydropyrido[3,2-h][1,3]benzoxazine;3-pyridin-4-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine;3-pyrimidin-2-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine;8-[3-(trifluoromethyl)phenyl]-7,10-dihydropyrido[3,2-h][2,3]benzoxazine?

The canonical SMILES for 3-(3-fluoro-4-methylphenyl)-9-methyl-2,4-dihydropyrido[3,2-h][1,3]benzoxazine;3-pyridin-4-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine;3-pyrimidin-2-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine;8-[3-(trifluoromethyl)phenyl]-7,10-dihydropyrido[3,2-h][2,3]benzoxazine is Cc1ccc2ccc3c(c2n1)OCN(c1ccc(C)c(F)c1)C3.FC(F)(F)c1cccc(N2Cc3ccc4cccnc4c3CO2)c1.c1cnc(N2COc3ncccc3C2)nc1.c1cnc2c(c1)CN(c1ccncc1)CO2.

What is the InChIKey of 3-(3-fluoro-4-methylphenyl)-9-methyl-2,4-dihydropyrido[3,2-h][1,3]benzoxazine;3-pyridin-4-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine;3-pyrimidin-2-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine;8-[3-(trifluoromethyl)phenyl]-7,10-dihydropyrido[3,2-h][2,3]benzoxazine?

The InChIKey is JJARLQHQUXYJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O.C18H13F3N2O.C12H11N3O.C11H10N4O/c1-12-3-8-16(9-17(12)20)22-10-15-7-6-14-5-4-13(2)21-18(14)19(15)23-11-22;19-18(20,21)14-4-1-5-15(9-14)23-10-13-7-6-12-3-2-8-22-17(12)16(13)11-24-23;1-2-10-8-15(9-16-12(10)14-5-1)11-3-6-13-7-4-11;1-3-9-7-15(8-16-10(9)12-4-1)11-13-5-2-6-14-11/h3-9H,10-11H2,1-2H3;1-9H,10-11H2;1-7H,8-9H2;1-6H,7-8H2.

What are the key properties of 3-(3-fluoro-4-methylphenyl)-9-methyl-2,4-dihydropyrido[3,2-h][1,3]benzoxazine;3-pyridin-4-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine;3-pyrimidin-2-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine;8-[3-(trifluoromethyl)phenyl]-7,10-dihydropyrido[3,2-h][2,3]benzoxazine?

3-(3-fluoro-4-methylphenyl)-9-methyl-2,4-dihydropyrido[3,2-h][1,3]benzoxazine;3-pyridin-4-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine;3-pyrimidin-2-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine;8-[3-(trifluoromethyl)phenyl]-7,10-dihydropyrido[3,2-h][2,3]benzoxazine has a molecular weight of 1066.13 g/mol, XLogP of 12.11, 4 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3-fluoro-4-methylphenyl)-9-methyl-2,4-dihydropyrido[3,2-h][1,3]benzoxazine;3-pyridin-4-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine;3-pyrimidin-2-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine;8-[3-(trifluoromethyl)phenyl]-7,10-dihydropyrido[3,2-h][2,3]benzoxazine is sourced from PubChem (CID 158930906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).