11-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,9-tetraen-8-one

C25H22N2O5 — CID 11796878

IUPAC11-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,9-tetraen-8-one
SMILESCOc1cc2cc(C(=O)N3CC4CC45C3=CC(=O)c3ccccc35)[nH]c2c(OC)c1OC
InChIInChI=1S/C25H22N2O5/c1-30-19-9-13-8-17(26-21(13)23(32-3)22(19)31-2)24(29)27-12-14-11-25(14)16-7-5-4-6-15(16)18(28)10-20(25)27/h4-10,14,26H,11-12H2,1-3H3
InChIKeyPITJNOYHDJOZBD-UHFFFAOYSA-N
MW430.46 g/mol
LogP3.69
Rot. Bonds4

About 11-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,9-tetraen-8-one

11-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,9-tetraen-8-one (PubChem CID 11796878) has the molecular formula C25H22N2O5 and a molecular weight of 430.46 g/mol. Its IUPAC name is 11-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,9-tetraen-8-one.

Molecular Properties

Compound Name11-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,9-tetraen-8-one
PubChem CID11796878
Molecular FormulaC25H22N2O5
Molecular Weight430.46 g/mol
Exact Mass430.15
IUPAC Name11-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,9-tetraen-8-one
SMILESCOc1cc2cc(C(=O)N3CC4CC45C3=CC(=O)c3ccccc35)[nH]c2c(OC)c1OC
InChIInChI=1S/C25H22N2O5/c1-30-19-9-13-8-17(26-21(13)23(32-3)22(19)31-2)24(29)27-12-14-11-25(14)16-7-5-4-6-15(16)18(28)10-20(25)27/h4-10,14,26H,11-12H2,1-3H3
InChIKeyPITJNOYHDJOZBD-UHFFFAOYSA-N
XLogP3.69
TPSA80.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 11-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,9-tetraen-8-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 11-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,9-tetraen-8-one?
The IUPAC name of 11-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,9-tetraen-8-one (CID 11796878) is 11-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,9-tetraen-8-one.
What is the SMILES notation for 11-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,9-tetraen-8-one?
The canonical SMILES for 11-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,9-tetraen-8-one is COc1cc2cc(C(=O)N3CC4CC45C3=CC(=O)c3ccccc35)[nH]c2c(OC)c1OC.
What is the InChIKey of 11-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,9-tetraen-8-one?
The InChIKey is PITJNOYHDJOZBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O5/c1-30-19-9-13-8-17(26-21(13)23(32-3)22(19)31-2)24(29)27-12-14-11-25(14)16-7-5-4-6-15(16)18(28)10-20(25)27/h4-10,14,26H,11-12H2,1-3H3.
What are the key properties of 11-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,9-tetraen-8-one?
11-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,9-tetraen-8-one has a molecular weight of 430.46 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,9-tetraen-8-one is sourced from PubChem (CID 11796878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).