7-(3-fluoro-4-methoxyphenyl)-4-(2-methoxyethyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one

C18H19FN2O4 — CID 134810885

IUPAC7-(3-fluoro-4-methoxyphenyl)-4-(2-methoxyethyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one
SMILESCOCCN1Cc2nc(-c3ccc(OC)c(F)c3)ccc2OCC1=O
InChIInChI=1S/C18H19FN2O4/c1-23-8-7-21-10-15-17(25-11-18(21)22)6-4-14(20-15)12-3-5-16(24-2)13(19)9-12/h3-6,9H,7-8,10-11H2,1-2H3
InChIKeyHJOLNTOJYFLOFA-UHFFFAOYSA-N
MW346.36 g/mol
LogP2.26
Rot. Bonds5

About 7-(3-fluoro-4-methoxyphenyl)-4-(2-methoxyethyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one

7-(3-fluoro-4-methoxyphenyl)-4-(2-methoxyethyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one (PubChem CID 134810885) has the molecular formula C18H19FN2O4 and a molecular weight of 346.36 g/mol. Its IUPAC name is 7-(3-fluoro-4-methoxyphenyl)-4-(2-methoxyethyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one.

Molecular Properties

Compound Name7-(3-fluoro-4-methoxyphenyl)-4-(2-methoxyethyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one
PubChem CID134810885
Molecular FormulaC18H19FN2O4
Molecular Weight346.36 g/mol
Exact Mass346.13
IUPAC Name7-(3-fluoro-4-methoxyphenyl)-4-(2-methoxyethyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one
SMILESCOCCN1Cc2nc(-c3ccc(OC)c(F)c3)ccc2OCC1=O
InChIInChI=1S/C18H19FN2O4/c1-23-8-7-21-10-15-17(25-11-18(21)22)6-4-14(20-15)12-3-5-16(24-2)13(19)9-12/h3-6,9H,7-8,10-11H2,1-2H3
InChIKeyHJOLNTOJYFLOFA-UHFFFAOYSA-N
XLogP2.26
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(3-fluoro-4-methoxyphenyl)-4-(2-methoxyethyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one?
The IUPAC name of 7-(3-fluoro-4-methoxyphenyl)-4-(2-methoxyethyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one (CID 134810885) is 7-(3-fluoro-4-methoxyphenyl)-4-(2-methoxyethyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one.
What is the SMILES notation for 7-(3-fluoro-4-methoxyphenyl)-4-(2-methoxyethyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one?
The canonical SMILES for 7-(3-fluoro-4-methoxyphenyl)-4-(2-methoxyethyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one is COCCN1Cc2nc(-c3ccc(OC)c(F)c3)ccc2OCC1=O.
What is the InChIKey of 7-(3-fluoro-4-methoxyphenyl)-4-(2-methoxyethyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one?
The InChIKey is HJOLNTOJYFLOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O4/c1-23-8-7-21-10-15-17(25-11-18(21)22)6-4-14(20-15)12-3-5-16(24-2)13(19)9-12/h3-6,9H,7-8,10-11H2,1-2H3.
What are the key properties of 7-(3-fluoro-4-methoxyphenyl)-4-(2-methoxyethyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one?
7-(3-fluoro-4-methoxyphenyl)-4-(2-methoxyethyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one has a molecular weight of 346.36 g/mol, XLogP of 2.26, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-fluoro-4-methoxyphenyl)-4-(2-methoxyethyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one is sourced from PubChem (CID 134810885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).