8-chloro-5-(1H-indol-5-yl)-10-methyl-13-oxa-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene

C16H13ClN6O — CID 88924934

IUPAC8-chloro-5-(1H-indol-5-yl)-10-methyl-13-oxa-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene
SMILESCN1CCOc2c1c(Cl)nn1c(-c3ccc4[nH]ccc4c3)nnc21
InChIInChI=1S/C16H13ClN6O/c1-22-6-7-24-13-12(22)14(17)21-23-15(19-20-16(13)23)10-2-3-11-9(8-10)4-5-18-11/h2-5,8,18H,6-7H2,1H3
InChIKeyUSBRIBAQYXIOCL-UHFFFAOYSA-N
MW340.77 g/mol
LogP2.75
Rot. Bonds1

About 8-chloro-5-(1H-indol-5-yl)-10-methyl-13-oxa-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene

8-chloro-5-(1H-indol-5-yl)-10-methyl-13-oxa-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene (PubChem CID 88924934) has the molecular formula C16H13ClN6O and a molecular weight of 340.77 g/mol. Its IUPAC name is 8-chloro-5-(1H-indol-5-yl)-10-methyl-13-oxa-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene.

Molecular Properties

Compound Name8-chloro-5-(1H-indol-5-yl)-10-methyl-13-oxa-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene
PubChem CID88924934
Molecular FormulaC16H13ClN6O
Molecular Weight340.77 g/mol
Exact Mass340.08
IUPAC Name8-chloro-5-(1H-indol-5-yl)-10-methyl-13-oxa-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene
SMILESCN1CCOc2c1c(Cl)nn1c(-c3ccc4[nH]ccc4c3)nnc21
InChIInChI=1S/C16H13ClN6O/c1-22-6-7-24-13-12(22)14(17)21-23-15(19-20-16(13)23)10-2-3-11-9(8-10)4-5-18-11/h2-5,8,18H,6-7H2,1H3
InChIKeyUSBRIBAQYXIOCL-UHFFFAOYSA-N
XLogP2.75
TPSA71.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.77
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 8-chloro-5-(1H-indol-5-yl)-10-methyl-13-oxa-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-5-(1H-indol-5-yl)-10-methyl-13-oxa-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene?
The IUPAC name of 8-chloro-5-(1H-indol-5-yl)-10-methyl-13-oxa-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene (CID 88924934) is 8-chloro-5-(1H-indol-5-yl)-10-methyl-13-oxa-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene.
What is the SMILES notation for 8-chloro-5-(1H-indol-5-yl)-10-methyl-13-oxa-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene?
The canonical SMILES for 8-chloro-5-(1H-indol-5-yl)-10-methyl-13-oxa-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene is CN1CCOc2c1c(Cl)nn1c(-c3ccc4[nH]ccc4c3)nnc21.
What is the InChIKey of 8-chloro-5-(1H-indol-5-yl)-10-methyl-13-oxa-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene?
The InChIKey is USBRIBAQYXIOCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN6O/c1-22-6-7-24-13-12(22)14(17)21-23-15(19-20-16(13)23)10-2-3-11-9(8-10)4-5-18-11/h2-5,8,18H,6-7H2,1H3.
What are the key properties of 8-chloro-5-(1H-indol-5-yl)-10-methyl-13-oxa-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene?
8-chloro-5-(1H-indol-5-yl)-10-methyl-13-oxa-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene has a molecular weight of 340.77 g/mol, XLogP of 2.75, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-5-(1H-indol-5-yl)-10-methyl-13-oxa-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene is sourced from PubChem (CID 88924934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).