3-(3-hydroxypropyl)-7,8-dimethoxy-1H-3-benzazepin-2-one

C15H19NO4 — CID 90268326

IUPAC3-(3-hydroxypropyl)-7,8-dimethoxy-1H-3-benzazepin-2-one
SMILESCOc1cc2c(cc1OC)CC(=O)N(CCCO)C=C2
InChIInChI=1S/C15H19NO4/c1-19-13-8-11-4-6-16(5-3-7-17)15(18)10-12(11)9-14(13)20-2/h4,6,8-9,17H,3,5,7,10H2,1-2H3
InChIKeyLXRLHFMGZBLTCJ-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.44
Rot. Bonds5

About 3-(3-hydroxypropyl)-7,8-dimethoxy-1H-3-benzazepin-2-one

3-(3-hydroxypropyl)-7,8-dimethoxy-1H-3-benzazepin-2-one (PubChem CID 90268326) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 3-(3-hydroxypropyl)-7,8-dimethoxy-1H-3-benzazepin-2-one.

Molecular Properties

Compound Name3-(3-hydroxypropyl)-7,8-dimethoxy-1H-3-benzazepin-2-one
PubChem CID90268326
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name3-(3-hydroxypropyl)-7,8-dimethoxy-1H-3-benzazepin-2-one
SMILESCOc1cc2c(cc1OC)CC(=O)N(CCCO)C=C2
InChIInChI=1S/C15H19NO4/c1-19-13-8-11-4-6-16(5-3-7-17)15(18)10-12(11)9-14(13)20-2/h4,6,8-9,17H,3,5,7,10H2,1-2H3
InChIKeyLXRLHFMGZBLTCJ-UHFFFAOYSA-N
XLogP1.44
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7,8-dimethoxy-3-pentyl-1H-3-benzazepin-2-one
CID 123825761
3-(7,8-dimethoxy-2-oxo-1H-3-benzazepin-3-yl)propylchloranium
CID 144748292
3-[2-(1,3-dioxan-2-yl)ethyl]-7,8-dimethoxy-1H-3-benzazepin-2-one
CID 11530069
3-(7,8-dimethoxy-2-oxo-1H-3-benzazepin-3-yl)-N-(1-methylpyrazol-4-yl)propanamide
CID 110206389
3-[3-[5-(3,4-dimethoxyphenyl)pentyl-methylamino]propyl]-7,8-dimethoxy-1H-3-benzazepin-2-one
CID 13319937
3-[3-[[(7S)-3,4-dimethoxy-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl-(trideuteriomethyl)amino]propyl]-7,8-dimethoxy-1H-3-benzazepin-2-one
CID 71315294
2-(7,8-dimethoxy-2-oxo-1H-3-benzazepin-3-yl)-N-(1-methylpyrazol-4-yl)acetamide
CID 71707077
3-butyl-7,8-dimethyl-1H-3-benzazepin-2-one
CID 90213760
7,8-dimethoxy-3-[3-[methyl(1-naphthalen-1-ylethyl)amino]propyl]-1H-3-benzazepin-2-one
CID 70385548
7,8-dimethoxy-3-(3-phenylprop-2-enyl)-1H-3-benzazepin-2-one
CID 71826933
3-[(3-fluorophenyl)methyl]-7,8-dimethoxy-1H-3-benzazepin-2-one
CID 71709298
7,8-dimethoxy-3-[3-[[1-(3-methoxyphenyl)cyclobutyl]methyl-methylamino]propyl]-1H-3-benzazepin-2-one
CID 67849574

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxypropyl)-7,8-dimethoxy-1H-3-benzazepin-2-one?
The IUPAC name of 3-(3-hydroxypropyl)-7,8-dimethoxy-1H-3-benzazepin-2-one (CID 90268326) is 3-(3-hydroxypropyl)-7,8-dimethoxy-1H-3-benzazepin-2-one.
What is the SMILES notation for 3-(3-hydroxypropyl)-7,8-dimethoxy-1H-3-benzazepin-2-one?
The canonical SMILES for 3-(3-hydroxypropyl)-7,8-dimethoxy-1H-3-benzazepin-2-one is COc1cc2c(cc1OC)CC(=O)N(CCCO)C=C2.
What is the InChIKey of 3-(3-hydroxypropyl)-7,8-dimethoxy-1H-3-benzazepin-2-one?
The InChIKey is LXRLHFMGZBLTCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-19-13-8-11-4-6-16(5-3-7-17)15(18)10-12(11)9-14(13)20-2/h4,6,8-9,17H,3,5,7,10H2,1-2H3.
What are the key properties of 3-(3-hydroxypropyl)-7,8-dimethoxy-1H-3-benzazepin-2-one?
3-(3-hydroxypropyl)-7,8-dimethoxy-1H-3-benzazepin-2-one has a molecular weight of 277.32 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxypropyl)-7,8-dimethoxy-1H-3-benzazepin-2-one is sourced from PubChem (CID 90268326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).