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

C24H18Cl2FN3O3 — CID 44621518

IUPAC7-(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
SMILESO=C(CN1C(=O)COc2cc(-c3cc(Cl)cc(Cl)c3)cnc21)N1CCc2cc(F)ccc2C1
InChIInChI=1S/C24H18Cl2FN3O3/c25-18-5-16(6-19(26)9-18)17-8-21-24(28-10-17)30(23(32)13-33-21)12-22(31)29-4-3-14-7-20(27)2-1-15(14)11-29/h1-2,5-10H,3-4,11-13H2
InChIKeyJZOFYHGYLKEGGP-UHFFFAOYSA-N
MW486.33 g/mol
LogP4.50
Rot. Bonds3

About 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

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 (PubChem CID 44621518) has the molecular formula C24H18Cl2FN3O3 and a molecular weight of 486.33 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-(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
PubChem CID44621518
Molecular FormulaC24H18Cl2FN3O3
Molecular Weight486.33 g/mol
Exact Mass485.07
IUPAC Name7-(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
SMILESO=C(CN1C(=O)COc2cc(-c3cc(Cl)cc(Cl)c3)cnc21)N1CCc2cc(F)ccc2C1
InChIInChI=1S/C24H18Cl2FN3O3/c25-18-5-16(6-19(26)9-18)17-8-21-24(28-10-17)30(23(32)13-33-21)12-22(31)29-4-3-14-7-20(27)2-1-15(14)11-29/h1-2,5-10H,3-4,11-13H2
InChIKeyJZOFYHGYLKEGGP-UHFFFAOYSA-N
XLogP4.50
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.33
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=C(CN1C(=O)COc2cc(-c3cc(Cl)cc(Cl)c3)cnc21)N1CCc2cc(F)ccc2C1.
What is the InChIKey of 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?
The InChIKey is JZOFYHGYLKEGGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18Cl2FN3O3/c25-18-5-16(6-19(26)9-18)17-8-21-24(28-10-17)30(23(32)13-33-21)12-22(31)29-4-3-14-7-20(27)2-1-15(14)11-29/h1-2,5-10H,3-4,11-13H2.
What are the key properties of 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?
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 has a molecular weight of 486.33 g/mol, XLogP of 4.50, 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-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]pyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 44621518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).