7,8-dimethoxy-3-[1-[methyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]propyl]-2,5-dihydro-1H-3-benzazepin-4-one

C26H34N2O3 — CID 23324582

IUPAC7,8-dimethoxy-3-[1-[methyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]propyl]-2,5-dihydro-1H-3-benzazepin-4-one
SMILESCCC(N1CCc2cc(OC)c(OC)cc2CC1=O)N(C)C1CCc2ccccc2C1
InChIInChI=1S/C26H34N2O3/c1-5-25(27(2)22-11-10-18-8-6-7-9-19(18)14-22)28-13-12-20-15-23(30-3)24(31-4)16-21(20)17-26(28)29/h6-9,15-16,22,25H,5,10-14,17H2,1-4H3
InChIKeyWJVHZFRKAAYDKF-UHFFFAOYSA-N
MW422.57 g/mol
LogP3.86
Rot. Bonds6

About 7,8-dimethoxy-3-[1-[methyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]propyl]-2,5-dihydro-1H-3-benzazepin-4-one

7,8-dimethoxy-3-[1-[methyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]propyl]-2,5-dihydro-1H-3-benzazepin-4-one (PubChem CID 23324582) has the molecular formula C26H34N2O3 and a molecular weight of 422.57 g/mol. Its IUPAC name is 7,8-dimethoxy-3-[1-[methyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]propyl]-2,5-dihydro-1H-3-benzazepin-4-one.

Molecular Properties

Compound Name7,8-dimethoxy-3-[1-[methyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]propyl]-2,5-dihydro-1H-3-benzazepin-4-one
PubChem CID23324582
Molecular FormulaC26H34N2O3
Molecular Weight422.57 g/mol
Exact Mass422.26
IUPAC Name7,8-dimethoxy-3-[1-[methyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]propyl]-2,5-dihydro-1H-3-benzazepin-4-one
SMILESCCC(N1CCc2cc(OC)c(OC)cc2CC1=O)N(C)C1CCc2ccccc2C1
InChIInChI=1S/C26H34N2O3/c1-5-25(27(2)22-11-10-18-8-6-7-9-19(18)14-22)28-13-12-20-15-23(30-3)24(31-4)16-21(20)17-26(28)29/h6-9,15-16,22,25H,5,10-14,17H2,1-4H3
InChIKeyWJVHZFRKAAYDKF-UHFFFAOYSA-N
XLogP3.86
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.57
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7,8-dimethoxy-3-[1-[methyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]propyl]-2,5-dihydro-1H-3-benzazepin-4-one?
The IUPAC name of 7,8-dimethoxy-3-[1-[methyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]propyl]-2,5-dihydro-1H-3-benzazepin-4-one (CID 23324582) is 7,8-dimethoxy-3-[1-[methyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]propyl]-2,5-dihydro-1H-3-benzazepin-4-one.
What is the SMILES notation for 7,8-dimethoxy-3-[1-[methyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]propyl]-2,5-dihydro-1H-3-benzazepin-4-one?
The canonical SMILES for 7,8-dimethoxy-3-[1-[methyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]propyl]-2,5-dihydro-1H-3-benzazepin-4-one is CCC(N1CCc2cc(OC)c(OC)cc2CC1=O)N(C)C1CCc2ccccc2C1.
What is the InChIKey of 7,8-dimethoxy-3-[1-[methyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]propyl]-2,5-dihydro-1H-3-benzazepin-4-one?
The InChIKey is WJVHZFRKAAYDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O3/c1-5-25(27(2)22-11-10-18-8-6-7-9-19(18)14-22)28-13-12-20-15-23(30-3)24(31-4)16-21(20)17-26(28)29/h6-9,15-16,22,25H,5,10-14,17H2,1-4H3.
What are the key properties of 7,8-dimethoxy-3-[1-[methyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]propyl]-2,5-dihydro-1H-3-benzazepin-4-one?
7,8-dimethoxy-3-[1-[methyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]propyl]-2,5-dihydro-1H-3-benzazepin-4-one has a molecular weight of 422.57 g/mol, XLogP of 3.86, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethoxy-3-[1-[methyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]propyl]-2,5-dihydro-1H-3-benzazepin-4-one is sourced from PubChem (CID 23324582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).