16-(1H-indol-3-yl)-1,8,15-triazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13,15-heptaen-9-one

C22H14N4O — CID 135752512

IUPAC16-(1H-indol-3-yl)-1,8,15-triazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13,15-heptaen-9-one
SMILESO=C1Nc2ccccc2-n2c(-c3c[nH]c4ccccc34)nc3cccc1c32
InChIInChI=1S/C22H14N4O/c27-22-14-7-5-10-18-20(14)26(19-11-4-3-9-17(19)25-22)21(24-18)15-12-23-16-8-2-1-6-13(15)16/h1-12,23H,(H,25,27)
InChIKeyMJYVUTNATRELEW-UHFFFAOYSA-N
MW350.38 g/mol
LogP4.74
Rot. Bonds1

About 16-(1H-indol-3-yl)-1,8,15-triazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13,15-heptaen-9-one

16-(1H-indol-3-yl)-1,8,15-triazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13,15-heptaen-9-one (PubChem CID 135752512) has the molecular formula C22H14N4O and a molecular weight of 350.38 g/mol. Its IUPAC name is 16-(1H-indol-3-yl)-1,8,15-triazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13,15-heptaen-9-one.

Molecular Properties

Compound Name16-(1H-indol-3-yl)-1,8,15-triazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13,15-heptaen-9-one
PubChem CID135752512
Molecular FormulaC22H14N4O
Molecular Weight350.38 g/mol
Exact Mass350.12
IUPAC Name16-(1H-indol-3-yl)-1,8,15-triazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13,15-heptaen-9-one
SMILESO=C1Nc2ccccc2-n2c(-c3c[nH]c4ccccc34)nc3cccc1c32
InChIInChI=1S/C22H14N4O/c27-22-14-7-5-10-18-20(14)26(19-11-4-3-9-17(19)25-22)21(24-18)15-12-23-16-8-2-1-6-13(15)16/h1-12,23H,(H,25,27)
InChIKeyMJYVUTNATRELEW-UHFFFAOYSA-N
XLogP4.74
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 16-(1H-indol-3-yl)-1,8,15-triazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13,15-heptaen-9-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 16-(1H-indol-3-yl)-1,8,15-triazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13,15-heptaen-9-one?
The IUPAC name of 16-(1H-indol-3-yl)-1,8,15-triazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13,15-heptaen-9-one (CID 135752512) is 16-(1H-indol-3-yl)-1,8,15-triazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13,15-heptaen-9-one.
What is the SMILES notation for 16-(1H-indol-3-yl)-1,8,15-triazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13,15-heptaen-9-one?
The canonical SMILES for 16-(1H-indol-3-yl)-1,8,15-triazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13,15-heptaen-9-one is O=C1Nc2ccccc2-n2c(-c3c[nH]c4ccccc34)nc3cccc1c32.
What is the InChIKey of 16-(1H-indol-3-yl)-1,8,15-triazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13,15-heptaen-9-one?
The InChIKey is MJYVUTNATRELEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N4O/c27-22-14-7-5-10-18-20(14)26(19-11-4-3-9-17(19)25-22)21(24-18)15-12-23-16-8-2-1-6-13(15)16/h1-12,23H,(H,25,27).
What are the key properties of 16-(1H-indol-3-yl)-1,8,15-triazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13,15-heptaen-9-one?
16-(1H-indol-3-yl)-1,8,15-triazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13,15-heptaen-9-one has a molecular weight of 350.38 g/mol, XLogP of 4.74, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 16-(1H-indol-3-yl)-1,8,15-triazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13,15-heptaen-9-one is sourced from PubChem (CID 135752512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).