1-(7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-3-(furan-2-yl)propan-1-one

C19H23NO4 — CID 56819353

IUPAC1-(7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-3-(furan-2-yl)propan-1-one
SMILESCOc1cc2c(cc1OC)CCN(C(=O)CCc1ccco1)CC2
InChIInChI=1S/C19H23NO4/c1-22-17-12-14-7-9-20(10-8-15(14)13-18(17)23-2)19(21)6-5-16-4-3-11-24-16/h3-4,11-13H,5-10H2,1-2H3
InChIKeyLUNNSIDNLDXMKW-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.86
Rot. Bonds5

About 1-(7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-3-(furan-2-yl)propan-1-one

1-(7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-3-(furan-2-yl)propan-1-one (PubChem CID 56819353) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is 1-(7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-3-(furan-2-yl)propan-1-one.

Molecular Properties

Compound Name1-(7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-3-(furan-2-yl)propan-1-one
PubChem CID56819353
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC Name1-(7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-3-(furan-2-yl)propan-1-one
SMILESCOc1cc2c(cc1OC)CCN(C(=O)CCc1ccco1)CC2
InChIInChI=1S/C19H23NO4/c1-22-17-12-14-7-9-20(10-8-15(14)13-18(17)23-2)19(21)6-5-16-4-3-11-24-16/h3-4,11-13H,5-10H2,1-2H3
InChIKeyLUNNSIDNLDXMKW-UHFFFAOYSA-N
XLogP2.86
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-3-(furan-2-yl)propan-1-one with MolForge

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Related Compounds

3-amino-1-(7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)propan-1-one
CID 68532871
1-(6,7-dimethoxyspiro[1,3-dihydroisoquinoline-4,1'-cyclohexane]-2-yl)-3-(furan-2-yl)propan-1-one
CID 110426050
3-(furan-2-yl)-1-(4-hydroxyiminopiperidin-1-yl)propan-1-one
CID 28780592
1-(7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-4-hydroxybutan-1-one
CID 68529668
1-(7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-3-thiophen-3-ylpropan-1-one
CID 56819347
1-(4-benzylidenepiperidin-1-yl)-3-(furan-2-yl)propan-1-one
CID 75408323
3-(furan-2-yl)-1-[4-(methylamino)piperidin-1-yl]propan-1-one
CID 54923480
3-amino-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one
CID 11625057
1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pentane-1,4-dione
CID 60639059
1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-methoxyphenyl)propan-1-one
CID 38446915
2-[3-(furan-2-yl)propanoyl]-3,4-dihydro-1H-isoquinoline-7-sulfonamide
CID 110310919
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[2-(furan-2-ylmethylamino)-4-pyridinyl]methanone
CID 109169350

Frequently Asked Questions

What is the IUPAC name of 1-(7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-3-(furan-2-yl)propan-1-one?
The IUPAC name of 1-(7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-3-(furan-2-yl)propan-1-one (CID 56819353) is 1-(7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-3-(furan-2-yl)propan-1-one.
What is the SMILES notation for 1-(7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-3-(furan-2-yl)propan-1-one?
The canonical SMILES for 1-(7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-3-(furan-2-yl)propan-1-one is COc1cc2c(cc1OC)CCN(C(=O)CCc1ccco1)CC2.
What is the InChIKey of 1-(7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-3-(furan-2-yl)propan-1-one?
The InChIKey is LUNNSIDNLDXMKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4/c1-22-17-12-14-7-9-20(10-8-15(14)13-18(17)23-2)19(21)6-5-16-4-3-11-24-16/h3-4,11-13H,5-10H2,1-2H3.
What are the key properties of 1-(7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-3-(furan-2-yl)propan-1-one?
1-(7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-3-(furan-2-yl)propan-1-one has a molecular weight of 329.40 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-3-(furan-2-yl)propan-1-one is sourced from PubChem (CID 56819353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).