1-(7-hydroxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-3-(1-methylindol-3-yl)propan-1-one

C22H24N2O2 — CID 154841457

IUPAC1-(7-hydroxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-3-(1-methylindol-3-yl)propan-1-one
SMILESCn1cc(CCC(=O)N2CCc3ccc(O)cc3CC2)c2ccccc21
InChIInChI=1S/C22H24N2O2/c1-23-15-18(20-4-2-3-5-21(20)23)7-9-22(26)24-12-10-16-6-8-19(25)14-17(16)11-13-24/h2-6,8,14-15,25H,7,9-13H2,1H3
InChIKeyQFMQLOMANHRWNS-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.44
Rot. Bonds3

About 1-(7-hydroxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-3-(1-methylindol-3-yl)propan-1-one

1-(7-hydroxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-3-(1-methylindol-3-yl)propan-1-one (PubChem CID 154841457) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 1-(7-hydroxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-3-(1-methylindol-3-yl)propan-1-one.

Molecular Properties

Compound Name1-(7-hydroxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-3-(1-methylindol-3-yl)propan-1-one
PubChem CID154841457
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name1-(7-hydroxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-3-(1-methylindol-3-yl)propan-1-one
SMILESCn1cc(CCC(=O)N2CCc3ccc(O)cc3CC2)c2ccccc21
InChIInChI=1S/C22H24N2O2/c1-23-15-18(20-4-2-3-5-21(20)23)7-9-22(26)24-12-10-16-6-8-19(25)14-17(16)11-13-24/h2-6,8,14-15,25H,7,9-13H2,1H3
InChIKeyQFMQLOMANHRWNS-UHFFFAOYSA-N
XLogP3.44
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(7-hydroxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-3-(1-methylindol-3-yl)propan-1-one?
The IUPAC name of 1-(7-hydroxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-3-(1-methylindol-3-yl)propan-1-one (CID 154841457) is 1-(7-hydroxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-3-(1-methylindol-3-yl)propan-1-one.
What is the SMILES notation for 1-(7-hydroxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-3-(1-methylindol-3-yl)propan-1-one?
The canonical SMILES for 1-(7-hydroxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-3-(1-methylindol-3-yl)propan-1-one is Cn1cc(CCC(=O)N2CCc3ccc(O)cc3CC2)c2ccccc21.
What is the InChIKey of 1-(7-hydroxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-3-(1-methylindol-3-yl)propan-1-one?
The InChIKey is QFMQLOMANHRWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-23-15-18(20-4-2-3-5-21(20)23)7-9-22(26)24-12-10-16-6-8-19(25)14-17(16)11-13-24/h2-6,8,14-15,25H,7,9-13H2,1H3.
What are the key properties of 1-(7-hydroxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-3-(1-methylindol-3-yl)propan-1-one?
1-(7-hydroxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-3-(1-methylindol-3-yl)propan-1-one has a molecular weight of 348.45 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-hydroxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-3-(1-methylindol-3-yl)propan-1-one is sourced from PubChem (CID 154841457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).