3-(1H-indol-3-yl)-14-oxa-5,6-diazatetracyclo[7.6.1.02,6.013,16]hexadeca-1(15),2,9(16),10,12-pentaen-4-one

C21H15N3O2 — CID 59140631

IUPAC3-(1H-indol-3-yl)-14-oxa-5,6-diazatetracyclo[7.6.1.02,6.013,16]hexadeca-1(15),2,9(16),10,12-pentaen-4-one
SMILESO=c1[nH]n2c(c1-c1c[nH]c3ccccc13)-c1coc3cccc(c13)CC2
InChIInChI=1S/C21H15N3O2/c25-21-19(14-10-22-16-6-2-1-5-13(14)16)20-15-11-26-17-7-3-4-12(18(15)17)8-9-24(20)23-21/h1-7,10-11,22H,8-9H2,(H,23,25)
InChIKeyFKDRLQFVKVYBCF-UHFFFAOYSA-N
MW341.37 g/mol
LogP4.29
Rot. Bonds1

About 3-(1H-indol-3-yl)-14-oxa-5,6-diazatetracyclo[7.6.1.02,6.013,16]hexadeca-1(15),2,9(16),10,12-pentaen-4-one

3-(1H-indol-3-yl)-14-oxa-5,6-diazatetracyclo[7.6.1.02,6.013,16]hexadeca-1(15),2,9(16),10,12-pentaen-4-one (PubChem CID 59140631) has the molecular formula C21H15N3O2 and a molecular weight of 341.37 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-14-oxa-5,6-diazatetracyclo[7.6.1.02,6.013,16]hexadeca-1(15),2,9(16),10,12-pentaen-4-one.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-14-oxa-5,6-diazatetracyclo[7.6.1.02,6.013,16]hexadeca-1(15),2,9(16),10,12-pentaen-4-one
PubChem CID59140631
Molecular FormulaC21H15N3O2
Molecular Weight341.37 g/mol
Exact Mass341.12
IUPAC Name3-(1H-indol-3-yl)-14-oxa-5,6-diazatetracyclo[7.6.1.02,6.013,16]hexadeca-1(15),2,9(16),10,12-pentaen-4-one
SMILESO=c1[nH]n2c(c1-c1c[nH]c3ccccc13)-c1coc3cccc(c13)CC2
InChIInChI=1S/C21H15N3O2/c25-21-19(14-10-22-16-6-2-1-5-13(14)16)20-15-11-26-17-7-3-4-12(18(15)17)8-9-24(20)23-21/h1-7,10-11,22H,8-9H2,(H,23,25)
InChIKeyFKDRLQFVKVYBCF-UHFFFAOYSA-N
XLogP4.29
TPSA66.72 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(1H-indol-3-yl)-14-oxa-5,6-diazatetracyclo[7.6.1.02,6.013,16]hexadeca-1(15),2,9(16),10,12-pentaen-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-14-oxa-5,6-diazatetracyclo[7.6.1.02,6.013,16]hexadeca-1(15),2,9(16),10,12-pentaen-4-one?
The IUPAC name of 3-(1H-indol-3-yl)-14-oxa-5,6-diazatetracyclo[7.6.1.02,6.013,16]hexadeca-1(15),2,9(16),10,12-pentaen-4-one (CID 59140631) is 3-(1H-indol-3-yl)-14-oxa-5,6-diazatetracyclo[7.6.1.02,6.013,16]hexadeca-1(15),2,9(16),10,12-pentaen-4-one.
What is the SMILES notation for 3-(1H-indol-3-yl)-14-oxa-5,6-diazatetracyclo[7.6.1.02,6.013,16]hexadeca-1(15),2,9(16),10,12-pentaen-4-one?
The canonical SMILES for 3-(1H-indol-3-yl)-14-oxa-5,6-diazatetracyclo[7.6.1.02,6.013,16]hexadeca-1(15),2,9(16),10,12-pentaen-4-one is O=c1[nH]n2c(c1-c1c[nH]c3ccccc13)-c1coc3cccc(c13)CC2.
What is the InChIKey of 3-(1H-indol-3-yl)-14-oxa-5,6-diazatetracyclo[7.6.1.02,6.013,16]hexadeca-1(15),2,9(16),10,12-pentaen-4-one?
The InChIKey is FKDRLQFVKVYBCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3O2/c25-21-19(14-10-22-16-6-2-1-5-13(14)16)20-15-11-26-17-7-3-4-12(18(15)17)8-9-24(20)23-21/h1-7,10-11,22H,8-9H2,(H,23,25).
What are the key properties of 3-(1H-indol-3-yl)-14-oxa-5,6-diazatetracyclo[7.6.1.02,6.013,16]hexadeca-1(15),2,9(16),10,12-pentaen-4-one?
3-(1H-indol-3-yl)-14-oxa-5,6-diazatetracyclo[7.6.1.02,6.013,16]hexadeca-1(15),2,9(16),10,12-pentaen-4-one has a molecular weight of 341.37 g/mol, XLogP of 4.29, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)-14-oxa-5,6-diazatetracyclo[7.6.1.02,6.013,16]hexadeca-1(15),2,9(16),10,12-pentaen-4-one is sourced from PubChem (CID 59140631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).