1-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-[5-(4-methoxyphenyl)-3-pyridinyl]ethanone

C22H20N2O3 — CID 169221262

IUPAC1-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-[5-(4-methoxyphenyl)-3-pyridinyl]ethanone
SMILESCOc1ccc(-c2cncc(CC(=O)N3CCOc4ccccc43)c2)cc1
InChIInChI=1S/C22H20N2O3/c1-26-19-8-6-17(7-9-19)18-12-16(14-23-15-18)13-22(25)24-10-11-27-21-5-3-2-4-20(21)24/h2-9,12,14-15H,10-11,13H2,1H3
InChIKeyNJWGPWOUTZPLMU-UHFFFAOYSA-N
MW360.41 g/mol
LogP3.73
Rot. Bonds4

About 1-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-[5-(4-methoxyphenyl)-3-pyridinyl]ethanone

1-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-[5-(4-methoxyphenyl)-3-pyridinyl]ethanone (PubChem CID 169221262) has the molecular formula C22H20N2O3 and a molecular weight of 360.41 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-[5-(4-methoxyphenyl)-3-pyridinyl]ethanone.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-[5-(4-methoxyphenyl)-3-pyridinyl]ethanone
PubChem CID169221262
Molecular FormulaC22H20N2O3
Molecular Weight360.41 g/mol
Exact Mass360.15
IUPAC Name1-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-[5-(4-methoxyphenyl)-3-pyridinyl]ethanone
SMILESCOc1ccc(-c2cncc(CC(=O)N3CCOc4ccccc43)c2)cc1
InChIInChI=1S/C22H20N2O3/c1-26-19-8-6-17(7-9-19)18-12-16(14-23-15-18)13-22(25)24-10-11-27-21-5-3-2-4-20(21)24/h2-9,12,14-15H,10-11,13H2,1H3
InChIKeyNJWGPWOUTZPLMU-UHFFFAOYSA-N
XLogP3.73
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dihydro-1,4-benzoxazin-4-yl)-3-(3-methoxyphenyl)propan-1-one
CID 110712924
1-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]butane-1,4-dione
CID 56567469
1-(6-methoxy-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(4-pyrazol-1-ylphenyl)ethanone
CID 71993981
1-(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(3-methoxyphenyl)ethanone
CID 110714305
1-(2,3-dihydro-1,4-benzoxazin-4-yl)-3-(3,4-dimethoxyphenyl)propan-1-one
CID 32612143
2,3-dihydro-1,4-benzoxazin-4-yl-[5-(4-nitrophenyl)-3-pyridinyl]methanone
CID 163390030
1-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-[4-(3-methoxyphenyl)piperazin-1-yl]butane-1,4-dione
CID 56562177
1-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-[4-(3-methoxybenzoyl)piperazin-1-yl]butane-1,4-dione
CID 56563412
1-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-(4-methoxyphenyl)ethanone
CID 50840918
1-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-thiophen-2-ylethanone
CID 43062773
1-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-quinolin-8-ylethanone
CID 71941938
4-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxo-N-[(2,4,5-trimethoxyphenyl)methyl]butanamide
CID 56564447

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-[5-(4-methoxyphenyl)-3-pyridinyl]ethanone?
The IUPAC name of 1-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-[5-(4-methoxyphenyl)-3-pyridinyl]ethanone (CID 169221262) is 1-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-[5-(4-methoxyphenyl)-3-pyridinyl]ethanone.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-[5-(4-methoxyphenyl)-3-pyridinyl]ethanone?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-[5-(4-methoxyphenyl)-3-pyridinyl]ethanone is COc1ccc(-c2cncc(CC(=O)N3CCOc4ccccc43)c2)cc1.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-[5-(4-methoxyphenyl)-3-pyridinyl]ethanone?
The InChIKey is NJWGPWOUTZPLMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3/c1-26-19-8-6-17(7-9-19)18-12-16(14-23-15-18)13-22(25)24-10-11-27-21-5-3-2-4-20(21)24/h2-9,12,14-15H,10-11,13H2,1H3.
What are the key properties of 1-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-[5-(4-methoxyphenyl)-3-pyridinyl]ethanone?
1-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-[5-(4-methoxyphenyl)-3-pyridinyl]ethanone has a molecular weight of 360.41 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-[5-(4-methoxyphenyl)-3-pyridinyl]ethanone is sourced from PubChem (CID 169221262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).