9-methoxy-7,8,11,12-tetrahydro-5H-indolo[3,2-c][1]benzazepin-6-one

C17H16N2O2 — CID 70121226

IUPAC9-methoxy-7,8,11,12-tetrahydro-5H-indolo[3,2-c][1]benzazepin-6-one
SMILESCOC1=CC2=C(CC1)C(=O)c1[nH]c3ccccc3c1CN2
InChIInChI=1S/C17H16N2O2/c1-21-10-6-7-12-15(8-10)18-9-13-11-4-2-3-5-14(11)19-16(13)17(12)20/h2-5,8,18-19H,6-7,9H2,1H3
InChIKeyQDFMEFGTWIQKEH-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.03
Rot. Bonds1

About 9-methoxy-7,8,11,12-tetrahydro-5H-indolo[3,2-c][1]benzazepin-6-one

9-methoxy-7,8,11,12-tetrahydro-5H-indolo[3,2-c][1]benzazepin-6-one (PubChem CID 70121226) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 9-methoxy-7,8,11,12-tetrahydro-5H-indolo[3,2-c][1]benzazepin-6-one.

Molecular Properties

Compound Name9-methoxy-7,8,11,12-tetrahydro-5H-indolo[3,2-c][1]benzazepin-6-one
PubChem CID70121226
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name9-methoxy-7,8,11,12-tetrahydro-5H-indolo[3,2-c][1]benzazepin-6-one
SMILESCOC1=CC2=C(CC1)C(=O)c1[nH]c3ccccc3c1CN2
InChIInChI=1S/C17H16N2O2/c1-21-10-6-7-12-15(8-10)18-9-13-11-4-2-3-5-14(11)19-16(13)17(12)20/h2-5,8,18-19H,6-7,9H2,1H3
InChIKeyQDFMEFGTWIQKEH-UHFFFAOYSA-N
XLogP3.03
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 9-methoxy-7,8,11,12-tetrahydro-5H-indolo[3,2-c][1]benzazepin-6-one?
The IUPAC name of 9-methoxy-7,8,11,12-tetrahydro-5H-indolo[3,2-c][1]benzazepin-6-one (CID 70121226) is 9-methoxy-7,8,11,12-tetrahydro-5H-indolo[3,2-c][1]benzazepin-6-one.
What is the SMILES notation for 9-methoxy-7,8,11,12-tetrahydro-5H-indolo[3,2-c][1]benzazepin-6-one?
The canonical SMILES for 9-methoxy-7,8,11,12-tetrahydro-5H-indolo[3,2-c][1]benzazepin-6-one is COC1=CC2=C(CC1)C(=O)c1[nH]c3ccccc3c1CN2.
What is the InChIKey of 9-methoxy-7,8,11,12-tetrahydro-5H-indolo[3,2-c][1]benzazepin-6-one?
The InChIKey is QDFMEFGTWIQKEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-21-10-6-7-12-15(8-10)18-9-13-11-4-2-3-5-14(11)19-16(13)17(12)20/h2-5,8,18-19H,6-7,9H2,1H3.
What are the key properties of 9-methoxy-7,8,11,12-tetrahydro-5H-indolo[3,2-c][1]benzazepin-6-one?
9-methoxy-7,8,11,12-tetrahydro-5H-indolo[3,2-c][1]benzazepin-6-one has a molecular weight of 280.33 g/mol, XLogP of 3.03, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxy-7,8,11,12-tetrahydro-5H-indolo[3,2-c][1]benzazepin-6-one is sourced from PubChem (CID 70121226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).