7-(3-methoxyphenyl)-4,5-dihydropyrido[2,3-f][1,4]oxazepin-3-one

C15H14N2O3 — CID 134805580

IUPAC7-(3-methoxyphenyl)-4,5-dihydropyrido[2,3-f][1,4]oxazepin-3-one
SMILESCOc1cccc(-c2ccc3c(n2)CNC(=O)CO3)c1
InChIInChI=1S/C15H14N2O3/c1-19-11-4-2-3-10(7-11)12-5-6-14-13(17-12)8-16-15(18)9-20-14/h2-7H,8-9H2,1H3,(H,16,18)
InChIKeyLJCUUDJITQAKMQ-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.77
Rot. Bonds2

About 7-(3-methoxyphenyl)-4,5-dihydropyrido[2,3-f][1,4]oxazepin-3-one

7-(3-methoxyphenyl)-4,5-dihydropyrido[2,3-f][1,4]oxazepin-3-one (PubChem CID 134805580) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is 7-(3-methoxyphenyl)-4,5-dihydropyrido[2,3-f][1,4]oxazepin-3-one.

Molecular Properties

Compound Name7-(3-methoxyphenyl)-4,5-dihydropyrido[2,3-f][1,4]oxazepin-3-one
PubChem CID134805580
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name7-(3-methoxyphenyl)-4,5-dihydropyrido[2,3-f][1,4]oxazepin-3-one
SMILESCOc1cccc(-c2ccc3c(n2)CNC(=O)CO3)c1
InChIInChI=1S/C15H14N2O3/c1-19-11-4-2-3-10(7-11)12-5-6-14-13(17-12)8-16-15(18)9-20-14/h2-7H,8-9H2,1H3,(H,16,18)
InChIKeyLJCUUDJITQAKMQ-UHFFFAOYSA-N
XLogP1.77
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-(6-methoxy-2-methylquinolin-4-yl)oxyacetamide
CID 70682976
2(1H)-Pyridinone, 5-ethyl-3-(((6-ethyl-3-methoxy-5-methyl-2-pyridinyl)methyl)amino)-6-methyl-
CID 454378
2-(3-methylphenoxy)-N-[(2-methylquinolin-4-yl)methyl]acetamide
CID 4915923
2-(4-methylphenoxy)-N-(pyridin-2-ylmethyl)acetamide
CID 564290
Acetamide, 2-(bis(1-methylethyl)amino)-N-(5,11-dihydro(1)benzoxepino(3,4-b)pyridin-5-yl)-
CID 13518610
6-[6-(3-Carbamimidoyl-phenoxy)-5-oxo-1,2,5,6-tetrahydro-pyrazin-2-yloxy]-pyridine-2-carboxamidine
CID 44294144
4-[(2-fluorophenyl)methyl]-7-(2-phenoxyethylamino)-5H-pyrido[2,3-f][1,4]oxazepin-3-one
CID 134806884
2-(6-methoxy-2-methylquinolin-4-yl)oxy-N-pentylacetamide
CID 145976635
N-[2-(cyclohexen-1-yl)ethyl]-2-(2-methylquinolin-8-yl)oxyacetamide
CID 2546477
2-[methyl-[2-(2-methylquinolin-8-yl)oxyacetyl]amino]-N-(4-methylphenyl)acetamide
CID 4786344
N-butyl-3-oxo-4-(pyridin-2-ylmethyl)-5H-1,4-benzoxazepine-5-carboxamide
CID 53300169
N-(cyclohexylmethyl)-2-(6-methoxy-2-methylquinolin-4-yl)oxyacetamide
CID 16339939

Frequently Asked Questions

What is the IUPAC name of 7-(3-methoxyphenyl)-4,5-dihydropyrido[2,3-f][1,4]oxazepin-3-one?
The IUPAC name of 7-(3-methoxyphenyl)-4,5-dihydropyrido[2,3-f][1,4]oxazepin-3-one (CID 134805580) is 7-(3-methoxyphenyl)-4,5-dihydropyrido[2,3-f][1,4]oxazepin-3-one.
What is the SMILES notation for 7-(3-methoxyphenyl)-4,5-dihydropyrido[2,3-f][1,4]oxazepin-3-one?
The canonical SMILES for 7-(3-methoxyphenyl)-4,5-dihydropyrido[2,3-f][1,4]oxazepin-3-one is COc1cccc(-c2ccc3c(n2)CNC(=O)CO3)c1.
What is the InChIKey of 7-(3-methoxyphenyl)-4,5-dihydropyrido[2,3-f][1,4]oxazepin-3-one?
The InChIKey is LJCUUDJITQAKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-19-11-4-2-3-10(7-11)12-5-6-14-13(17-12)8-16-15(18)9-20-14/h2-7H,8-9H2,1H3,(H,16,18).
What are the key properties of 7-(3-methoxyphenyl)-4,5-dihydropyrido[2,3-f][1,4]oxazepin-3-one?
7-(3-methoxyphenyl)-4,5-dihydropyrido[2,3-f][1,4]oxazepin-3-one has a molecular weight of 270.29 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-methoxyphenyl)-4,5-dihydropyrido[2,3-f][1,4]oxazepin-3-one is sourced from PubChem (CID 134805580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).