2-(1H-indol-5-yl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one

C19H15N3O — CID 11822754

IUPAC2-(1H-indol-5-yl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one
SMILESO=C1NCCc2c(-c3ccc4[nH]ccc4c3)[nH]c3cccc1c23
InChIInChI=1S/C19H15N3O/c23-19-14-2-1-3-16-17(14)13(7-9-21-19)18(22-16)12-4-5-15-11(10-12)6-8-20-15/h1-6,8,10,20,22H,7,9H2,(H,21,23)
InChIKeyLEQTVGHPTNSWLT-UHFFFAOYSA-N
MW301.35 g/mol
LogP3.60
Rot. Bonds1

About 2-(1H-indol-5-yl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one

2-(1H-indol-5-yl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one (PubChem CID 11822754) has the molecular formula C19H15N3O and a molecular weight of 301.35 g/mol. Its IUPAC name is 2-(1H-indol-5-yl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one.

Molecular Properties

Compound Name2-(1H-indol-5-yl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one
PubChem CID11822754
Molecular FormulaC19H15N3O
Molecular Weight301.35 g/mol
Exact Mass301.12
IUPAC Name2-(1H-indol-5-yl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one
SMILESO=C1NCCc2c(-c3ccc4[nH]ccc4c3)[nH]c3cccc1c23
InChIInChI=1S/C19H15N3O/c23-19-14-2-1-3-16-17(14)13(7-9-21-19)18(22-16)12-4-5-15-11(10-12)6-8-20-15/h1-6,8,10,20,22H,7,9H2,(H,21,23)
InChIKeyLEQTVGHPTNSWLT-UHFFFAOYSA-N
XLogP3.60
TPSA60.68 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Analyze 2-(1H-indol-5-yl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-5-yl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one?
The IUPAC name of 2-(1H-indol-5-yl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one (CID 11822754) is 2-(1H-indol-5-yl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one.
What is the SMILES notation for 2-(1H-indol-5-yl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one?
The canonical SMILES for 2-(1H-indol-5-yl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one is O=C1NCCc2c(-c3ccc4[nH]ccc4c3)[nH]c3cccc1c23.
What is the InChIKey of 2-(1H-indol-5-yl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one?
The InChIKey is LEQTVGHPTNSWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O/c23-19-14-2-1-3-16-17(14)13(7-9-21-19)18(22-16)12-4-5-15-11(10-12)6-8-20-15/h1-6,8,10,20,22H,7,9H2,(H,21,23).
What are the key properties of 2-(1H-indol-5-yl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one?
2-(1H-indol-5-yl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one has a molecular weight of 301.35 g/mol, XLogP of 3.60, 1 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-5-yl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one is sourced from PubChem (CID 11822754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).