2-[5-(4-chloro-3-methylphenyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)ethanone

C24H21ClF3N3O3 — CID 162111756

IUPAC2-[5-(4-chloro-3-methylphenyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)ethanone
SMILESCc1cc(-c2cc(CC(=O)c3cnc4c(c3)OCCN4C)cnc2OCC(F)(F)F)ccc1Cl
InChIInChI=1S/C24H21ClF3N3O3/c1-14-7-16(3-4-19(14)25)18-8-15(11-30-23(18)34-13-24(26,27)28)9-20(32)17-10-21-22(29-12-17)31(2)5-6-33-21/h3-4,7-8,10-12H,5-6,9,13H2,1-2H3
InChIKeyZGFYICUECYCJGD-UHFFFAOYSA-N
MW491.90 g/mol
LogP5.30
Rot. Bonds6

About 2-[5-(4-chloro-3-methylphenyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)ethanone

2-[5-(4-chloro-3-methylphenyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)ethanone (PubChem CID 162111756) has the molecular formula C24H21ClF3N3O3 and a molecular weight of 491.90 g/mol. Its IUPAC name is 2-[5-(4-chloro-3-methylphenyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)ethanone.

Molecular Properties

Compound Name2-[5-(4-chloro-3-methylphenyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)ethanone
PubChem CID162111756
Molecular FormulaC24H21ClF3N3O3
Molecular Weight491.90 g/mol
Exact Mass491.12
IUPAC Name2-[5-(4-chloro-3-methylphenyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)ethanone
SMILESCc1cc(-c2cc(CC(=O)c3cnc4c(c3)OCCN4C)cnc2OCC(F)(F)F)ccc1Cl
InChIInChI=1S/C24H21ClF3N3O3/c1-14-7-16(3-4-19(14)25)18-8-15(11-30-23(18)34-13-24(26,27)28)9-20(32)17-10-21-22(29-12-17)31(2)5-6-33-21/h3-4,7-8,10-12H,5-6,9,13H2,1-2H3
InChIKeyZGFYICUECYCJGD-UHFFFAOYSA-N
XLogP5.30
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.90
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[5-(4-chloro-3-methylphenyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)ethanone with MolForge

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Related Compounds

N-[5-(5-carbamoyl-2-chlorophenyl)-3-(2,2,2-trifluoroethoxy)pyridin-2-yl]-2-chloro-6-fluoro-N-methylbenzamide
CID 90021191
N-[5-(5-carbamoyl-2-chlorophenyl)-3-(cyclobutylmethoxy)-2-pyridinyl]-2-chloro-6-fluoro-N-methylbenzamide
CID 90078179
N-[5-(5-carbamoyl-2-chlorophenyl)-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]-2-chloro-6-fluoro-N-(trideuteriomethyl)benzamide
CID 72721804
N-[5-(5-carbamoyl-2-chlorophenyl)-3-(cyclobutylmethoxy)-2-pyridinyl]-2-chloro-6-fluoro-N-(trideuteriomethyl)benzamide
CID 122182886
5-(4-chlorobenzyl)-3-(3-hydroxypropyl)-1-methyl-6-(5-methylpyridin-3-yloxy)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione
CID 118875489
5-(4-chlorobenzyl)-3-(3-hydroxypropyl)-1-methyl-6-(pyridin-3-yloxy)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione
CID 118875495
5-(4-chlorobenzyl)-6-((5-fluoropyridin-3-yl)oxy)-3-(3-hydroxypropyl)-1-methyl pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione
CID 118875498
5-(4-chlorobenzyl)-3-(3-hydroxypropyl)-6-isopropoxy-1-methylpyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione
CID 118875505
5-(4-chlorobenzyl)-6-((5-chloropyridin-3-yl)oxy)-3-(3-hydroxypropyl)-1-methylpyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione
CID 118875515
6-(3-chlorophenoxy)-3-(3-hydroxypropyl)-1-methyl-5-((6-(trifluoromethyl)pyridin-3-yl)methyl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione
CID 118875523
US20240116948, Example 19
CID 164546080
US20240116948, Example 7
CID 164546084

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-chloro-3-methylphenyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)ethanone?
The IUPAC name of 2-[5-(4-chloro-3-methylphenyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)ethanone (CID 162111756) is 2-[5-(4-chloro-3-methylphenyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)ethanone.
What is the SMILES notation for 2-[5-(4-chloro-3-methylphenyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)ethanone?
The canonical SMILES for 2-[5-(4-chloro-3-methylphenyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)ethanone is Cc1cc(-c2cc(CC(=O)c3cnc4c(c3)OCCN4C)cnc2OCC(F)(F)F)ccc1Cl.
What is the InChIKey of 2-[5-(4-chloro-3-methylphenyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)ethanone?
The InChIKey is ZGFYICUECYCJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClF3N3O3/c1-14-7-16(3-4-19(14)25)18-8-15(11-30-23(18)34-13-24(26,27)28)9-20(32)17-10-21-22(29-12-17)31(2)5-6-33-21/h3-4,7-8,10-12H,5-6,9,13H2,1-2H3.
What are the key properties of 2-[5-(4-chloro-3-methylphenyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)ethanone?
2-[5-(4-chloro-3-methylphenyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)ethanone has a molecular weight of 491.90 g/mol, XLogP of 5.30, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-chloro-3-methylphenyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)ethanone is sourced from PubChem (CID 162111756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).