10,19-dioxo-N-phenyl-1,4,11-triazapentacyclo[10.7.0.02,9.04,8.013,18]nonadeca-2,8,11,13,15,17-hexaene-3-carboxamide

C23H16N4O3 — CID 45112656

IUPAC10,19-dioxo-N-phenyl-1,4,11-triazapentacyclo[10.7.0.02,9.04,8.013,18]nonadeca-2,8,11,13,15,17-hexaene-3-carboxamide
SMILESO=C(Nc1ccccc1)c1c2c(c3n1CCC3)c(=O)nc1n2C(=O)c2ccccc2-1
InChIInChI=1S/C23H16N4O3/c28-21-17-16-11-6-12-26(16)19(22(29)24-13-7-2-1-3-8-13)18(17)27-20(25-21)14-9-4-5-10-15(14)23(27)30/h1-5,7-10H,6,11-12H2,(H,24,29)
InChIKeyNKTZEWILDIYFCV-UHFFFAOYSA-N
MW396.41 g/mol
LogP3.07
Rot. Bonds2

About 10,19-dioxo-N-phenyl-1,4,11-triazapentacyclo[10.7.0.02,9.04,8.013,18]nonadeca-2,8,11,13,15,17-hexaene-3-carboxamide

10,19-dioxo-N-phenyl-1,4,11-triazapentacyclo[10.7.0.02,9.04,8.013,18]nonadeca-2,8,11,13,15,17-hexaene-3-carboxamide (PubChem CID 45112656) has the molecular formula C23H16N4O3 and a molecular weight of 396.41 g/mol. Its IUPAC name is 10,19-dioxo-N-phenyl-1,4,11-triazapentacyclo[10.7.0.02,9.04,8.013,18]nonadeca-2,8,11,13,15,17-hexaene-3-carboxamide.

Molecular Properties

Compound Name10,19-dioxo-N-phenyl-1,4,11-triazapentacyclo[10.7.0.02,9.04,8.013,18]nonadeca-2,8,11,13,15,17-hexaene-3-carboxamide
PubChem CID45112656
Molecular FormulaC23H16N4O3
Molecular Weight396.41 g/mol
Exact Mass396.12
IUPAC Name10,19-dioxo-N-phenyl-1,4,11-triazapentacyclo[10.7.0.02,9.04,8.013,18]nonadeca-2,8,11,13,15,17-hexaene-3-carboxamide
SMILESO=C(Nc1ccccc1)c1c2c(c3n1CCC3)c(=O)nc1n2C(=O)c2ccccc2-1
InChIInChI=1S/C23H16N4O3/c28-21-17-16-11-6-12-26(16)19(22(29)24-13-7-2-1-3-8-13)18(17)27-20(25-21)14-9-4-5-10-15(14)23(27)30/h1-5,7-10H,6,11-12H2,(H,24,29)
InChIKeyNKTZEWILDIYFCV-UHFFFAOYSA-N
XLogP3.07
TPSA85.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.41
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 10,19-dioxo-N-phenyl-1,4,11-triazapentacyclo[10.7.0.02,9.04,8.013,18]nonadeca-2,8,11,13,15,17-hexaene-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10,19-dioxo-N-phenyl-1,4,11-triazapentacyclo[10.7.0.02,9.04,8.013,18]nonadeca-2,8,11,13,15,17-hexaene-3-carboxamide?
The IUPAC name of 10,19-dioxo-N-phenyl-1,4,11-triazapentacyclo[10.7.0.02,9.04,8.013,18]nonadeca-2,8,11,13,15,17-hexaene-3-carboxamide (CID 45112656) is 10,19-dioxo-N-phenyl-1,4,11-triazapentacyclo[10.7.0.02,9.04,8.013,18]nonadeca-2,8,11,13,15,17-hexaene-3-carboxamide.
What is the SMILES notation for 10,19-dioxo-N-phenyl-1,4,11-triazapentacyclo[10.7.0.02,9.04,8.013,18]nonadeca-2,8,11,13,15,17-hexaene-3-carboxamide?
The canonical SMILES for 10,19-dioxo-N-phenyl-1,4,11-triazapentacyclo[10.7.0.02,9.04,8.013,18]nonadeca-2,8,11,13,15,17-hexaene-3-carboxamide is O=C(Nc1ccccc1)c1c2c(c3n1CCC3)c(=O)nc1n2C(=O)c2ccccc2-1.
What is the InChIKey of 10,19-dioxo-N-phenyl-1,4,11-triazapentacyclo[10.7.0.02,9.04,8.013,18]nonadeca-2,8,11,13,15,17-hexaene-3-carboxamide?
The InChIKey is NKTZEWILDIYFCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N4O3/c28-21-17-16-11-6-12-26(16)19(22(29)24-13-7-2-1-3-8-13)18(17)27-20(25-21)14-9-4-5-10-15(14)23(27)30/h1-5,7-10H,6,11-12H2,(H,24,29).
What are the key properties of 10,19-dioxo-N-phenyl-1,4,11-triazapentacyclo[10.7.0.02,9.04,8.013,18]nonadeca-2,8,11,13,15,17-hexaene-3-carboxamide?
10,19-dioxo-N-phenyl-1,4,11-triazapentacyclo[10.7.0.02,9.04,8.013,18]nonadeca-2,8,11,13,15,17-hexaene-3-carboxamide has a molecular weight of 396.41 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10,19-dioxo-N-phenyl-1,4,11-triazapentacyclo[10.7.0.02,9.04,8.013,18]nonadeca-2,8,11,13,15,17-hexaene-3-carboxamide is sourced from PubChem (CID 45112656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).