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

C21H21Cl2N3O3 — CID 45107443

IUPAC7-(3,5-dichlorophenyl)-4-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]pyrido[3,2-b][1,4]oxazin-3-one
SMILESCC1CCCN(C(=O)CN2C(=O)COc3cc(-c4cc(Cl)cc(Cl)c4)cnc32)C1
InChIInChI=1S/C21H21Cl2N3O3/c1-13-3-2-4-25(10-13)19(27)11-26-20(28)12-29-18-7-15(9-24-21(18)26)14-5-16(22)8-17(23)6-14/h5-9,13H,2-4,10-12H2,1H3
InChIKeyRXVNQZBRALQZHS-UHFFFAOYSA-N
MW434.32 g/mol
LogP4.04
Rot. Bonds3

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

7-(3,5-dichlorophenyl)-4-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]pyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 45107443) has the molecular formula C21H21Cl2N3O3 and a molecular weight of 434.32 g/mol. Its IUPAC name is 7-(3,5-dichlorophenyl)-4-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]pyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name7-(3,5-dichlorophenyl)-4-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]pyrido[3,2-b][1,4]oxazin-3-one
PubChem CID45107443
Molecular FormulaC21H21Cl2N3O3
Molecular Weight434.32 g/mol
Exact Mass433.10
IUPAC Name7-(3,5-dichlorophenyl)-4-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]pyrido[3,2-b][1,4]oxazin-3-one
SMILESCC1CCCN(C(=O)CN2C(=O)COc3cc(-c4cc(Cl)cc(Cl)c4)cnc32)C1
InChIInChI=1S/C21H21Cl2N3O3/c1-13-3-2-4-25(10-13)19(27)11-26-20(28)12-29-18-7-15(9-24-21(18)26)14-5-16(22)8-17(23)6-14/h5-9,13H,2-4,10-12H2,1H3
InChIKeyRXVNQZBRALQZHS-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

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

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Related Compounds

7-(3,5-dichlorophenyl)-4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrido[3,2-b][1,4]oxazin-3-one
CID 44621471
7-(3,5-dichlorophenyl)-4-[2-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]pyrido[3,2-b][1,4]oxazin-3-one
CID 44621518
4-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-6-nitro-1,4-benzoxazin-3-one
CID 17417985
4-[2-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-oxoethyl]-6-chloro-1,4-benzoxazin-3-one
CID 35430359
4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-6-(pyrrolidine-1-carbonyl)-1,4-benzoxazin-3-one
CID 53012835
4-[2-[3-[5-(4-chlorophenyl)-2-(dimethylamino)pyrimidin-4-yl]piperidin-1-yl]-2-oxoethyl]morpholine-3,5-dione
CID 110128765
4-[2-oxo-2-[(4R)-4-phenylazepan-1-yl]ethyl]pyrido[3,2-b][1,4]oxazin-3-one
CID 97273464
N-(3,5-dichlorophenyl)-3-(3-methylpiperidin-1-yl)-3-oxopropanamide
CID 108952396
4,5-dichloro-2-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 95260207
7-bromo-4-[2-[3-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]-1,4-benzoxazin-3-one
CID 119397214
4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-3-oxo-1,4-benzoxazine-6-carbaldehyde
CID 18452191
6-chloro-4-[2-[3-(methylamino)azetidin-1-yl]-2-oxoethyl]-1,4-benzoxazin-3-one
CID 172895328

Frequently Asked Questions

What is the IUPAC name of 7-(3,5-dichlorophenyl)-4-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]pyrido[3,2-b][1,4]oxazin-3-one?
The IUPAC name of 7-(3,5-dichlorophenyl)-4-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]pyrido[3,2-b][1,4]oxazin-3-one (CID 45107443) is 7-(3,5-dichlorophenyl)-4-[2-(3-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-(3-methylpiperidin-1-yl)-2-oxoethyl]pyrido[3,2-b][1,4]oxazin-3-one?
The canonical SMILES for 7-(3,5-dichlorophenyl)-4-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]pyrido[3,2-b][1,4]oxazin-3-one is CC1CCCN(C(=O)CN2C(=O)COc3cc(-c4cc(Cl)cc(Cl)c4)cnc32)C1.
What is the InChIKey of 7-(3,5-dichlorophenyl)-4-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]pyrido[3,2-b][1,4]oxazin-3-one?
The InChIKey is RXVNQZBRALQZHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21Cl2N3O3/c1-13-3-2-4-25(10-13)19(27)11-26-20(28)12-29-18-7-15(9-24-21(18)26)14-5-16(22)8-17(23)6-14/h5-9,13H,2-4,10-12H2,1H3.
What are the key properties of 7-(3,5-dichlorophenyl)-4-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]pyrido[3,2-b][1,4]oxazin-3-one?
7-(3,5-dichlorophenyl)-4-[2-(3-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-(3-methylpiperidin-1-yl)-2-oxoethyl]pyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 45107443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).