1-[2-(3-acetyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)ethyl]-4-hydroxypyridin-2-one

C19H22N2O3 — CID 58042685

IUPAC1-[2-(3-acetyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)ethyl]-4-hydroxypyridin-2-one
SMILESCC(=O)N1CCc2ccc(CCn3ccc(O)cc3=O)cc2CC1
InChIInChI=1S/C19H22N2O3/c1-14(22)20-9-5-16-3-2-15(12-17(16)6-10-20)4-8-21-11-7-18(23)13-19(21)24/h2-3,7,11-13,23H,4-6,8-10H2,1H3
InChIKeyHTQNHWAQRWYITA-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.74
Rot. Bonds3

About 1-[2-(3-acetyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)ethyl]-4-hydroxypyridin-2-one

1-[2-(3-acetyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)ethyl]-4-hydroxypyridin-2-one (PubChem CID 58042685) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 1-[2-(3-acetyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)ethyl]-4-hydroxypyridin-2-one.

Molecular Properties

Compound Name1-[2-(3-acetyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)ethyl]-4-hydroxypyridin-2-one
PubChem CID58042685
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name1-[2-(3-acetyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)ethyl]-4-hydroxypyridin-2-one
SMILESCC(=O)N1CCc2ccc(CCn3ccc(O)cc3=O)cc2CC1
InChIInChI=1S/C19H22N2O3/c1-14(22)20-9-5-16-3-2-15(12-17(16)6-10-20)4-8-21-11-7-18(23)13-19(21)24/h2-3,7,11-13,23H,4-6,8-10H2,1H3
InChIKeyHTQNHWAQRWYITA-UHFFFAOYSA-N
XLogP1.74
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-(3-acetyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)ethyl]-4-hydroxypyridin-2-one with MolForge

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Related Compounds

1-(7-ethyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethanone
CID 143342026
4-[(4-fluorophenyl)methoxy]-1-[2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethyl]pyridin-2-one
CID 58042761
1-[7-[(dimethylamino)methyl]-1,2,4,5-tetrahydro-3-benzazepin-3-yl]-2,2,2-trifluoroethanone
CID 86604290
1-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethanone
CID 19375487
1-(4-methylpiperazin-1-yl)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-one
CID 110673901
1-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperazin-1-yl]ethanone
CID 163350132
2-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)ethanol
CID 105445307
ethyl 7-(2-oxopropyl)-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylate
CID 58494890
1-[2-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-oxoethyl]-4-phenylmethoxypyridin-2-one
CID 58042869
4-phenylmethoxy-1-[2-(1,2,3,4-tetrahydroisoquinolin-6-yl)ethyl]pyridin-2-one
CID 58042745
1-[4-[3-(3-benzyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)propyl]piperidin-1-yl]ethanone
CID 70203425
5-(2,3-dihydro-1H-inden-5-yl)pentan-2-one
CID 64522132

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-acetyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)ethyl]-4-hydroxypyridin-2-one?
The IUPAC name of 1-[2-(3-acetyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)ethyl]-4-hydroxypyridin-2-one (CID 58042685) is 1-[2-(3-acetyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)ethyl]-4-hydroxypyridin-2-one.
What is the SMILES notation for 1-[2-(3-acetyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)ethyl]-4-hydroxypyridin-2-one?
The canonical SMILES for 1-[2-(3-acetyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)ethyl]-4-hydroxypyridin-2-one is CC(=O)N1CCc2ccc(CCn3ccc(O)cc3=O)cc2CC1.
What is the InChIKey of 1-[2-(3-acetyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)ethyl]-4-hydroxypyridin-2-one?
The InChIKey is HTQNHWAQRWYITA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-14(22)20-9-5-16-3-2-15(12-17(16)6-10-20)4-8-21-11-7-18(23)13-19(21)24/h2-3,7,11-13,23H,4-6,8-10H2,1H3.
What are the key properties of 1-[2-(3-acetyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)ethyl]-4-hydroxypyridin-2-one?
1-[2-(3-acetyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)ethyl]-4-hydroxypyridin-2-one has a molecular weight of 326.40 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-acetyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)ethyl]-4-hydroxypyridin-2-one is sourced from PubChem (CID 58042685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).