7-(3,5-dichlorophenyl)-4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrido[3,2-b][1,4]oxazin-3-one

C21H21Cl2N3O3 — CID 44621471

IUPAC7-(3,5-dichlorophenyl)-4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrido[3,2-b][1,4]oxazin-3-one
SMILESCC1CCN(C(=O)CN2C(=O)COc3cc(-c4cc(Cl)cc(Cl)c4)cnc32)CC1
InChIInChI=1S/C21H21Cl2N3O3/c1-13-2-4-25(5-3-13)19(27)11-26-20(28)12-29-18-8-15(10-24-21(18)26)14-6-16(22)9-17(23)7-14/h6-10,13H,2-5,11-12H2,1H3
InChIKeyYQVWRHRWZBGDFL-UHFFFAOYSA-N
MW434.32 g/mol
LogP4.04
Rot. Bonds3

About 7-(3,5-dichlorophenyl)-4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrido[3,2-b][1,4]oxazin-3-one

7-(3,5-dichlorophenyl)-4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 44621471) has the molecular formula C21H21Cl2N3O3 and a molecular weight of 434.32 g/mol. Its IUPAC name is 7-(3,5-dichlorophenyl)-4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name7-(3,5-dichlorophenyl)-4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrido[3,2-b][1,4]oxazin-3-one
PubChem CID44621471
Molecular FormulaC21H21Cl2N3O3
Molecular Weight434.32 g/mol
Exact Mass433.10
IUPAC Name7-(3,5-dichlorophenyl)-4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrido[3,2-b][1,4]oxazin-3-one
SMILESCC1CCN(C(=O)CN2C(=O)COc3cc(-c4cc(Cl)cc(Cl)c4)cnc32)CC1
InChIInChI=1S/C21H21Cl2N3O3/c1-13-2-4-25(5-3-13)19(27)11-26-20(28)12-29-18-8-15(10-24-21(18)26)14-6-16(22)9-17(23)7-14/h6-10,13H,2-5,11-12H2,1H3
InChIKeyYQVWRHRWZBGDFL-UHFFFAOYSA-N
XLogP4.04
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.32
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(3,5-dichlorophenyl)-4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrido[3,2-b][1,4]oxazin-3-one?
The IUPAC name of 7-(3,5-dichlorophenyl)-4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrido[3,2-b][1,4]oxazin-3-one (CID 44621471) is 7-(3,5-dichlorophenyl)-4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrido[3,2-b][1,4]oxazin-3-one.
What is the SMILES notation for 7-(3,5-dichlorophenyl)-4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrido[3,2-b][1,4]oxazin-3-one?
The canonical SMILES for 7-(3,5-dichlorophenyl)-4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrido[3,2-b][1,4]oxazin-3-one is CC1CCN(C(=O)CN2C(=O)COc3cc(-c4cc(Cl)cc(Cl)c4)cnc32)CC1.
What is the InChIKey of 7-(3,5-dichlorophenyl)-4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrido[3,2-b][1,4]oxazin-3-one?
The InChIKey is YQVWRHRWZBGDFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21Cl2N3O3/c1-13-2-4-25(5-3-13)19(27)11-26-20(28)12-29-18-8-15(10-24-21(18)26)14-6-16(22)9-17(23)7-14/h6-10,13H,2-5,11-12H2,1H3.
What are the key properties of 7-(3,5-dichlorophenyl)-4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrido[3,2-b][1,4]oxazin-3-one?
7-(3,5-dichlorophenyl)-4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 434.32 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,5-dichlorophenyl)-4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 44621471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).