8-azatetracyclo[7.6.0.02,7.010,13]pentadeca-1(9),2,4,6,10(13),14-hexaene-11-carboxamide

C15H12N2O — CID 168864652

IUPAC8-azatetracyclo[7.6.0.02,7.010,13]pentadeca-1(9),2,4,6,10(13),14-hexaene-11-carboxamide
SMILESNC(=O)C1Cc2ccc3c([nH]c4ccccc43)c21
InChIInChI=1S/C15H12N2O/c16-15(18)11-7-8-5-6-10-9-3-1-2-4-12(9)17-14(10)13(8)11/h1-6,11,17H,7H2,(H2,16,18)
InChIKeyPNGOCLOPSWDXHQ-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.45
Rot. Bonds1

About 8-azatetracyclo[7.6.0.02,7.010,13]pentadeca-1(9),2,4,6,10(13),14-hexaene-11-carboxamide

8-azatetracyclo[7.6.0.02,7.010,13]pentadeca-1(9),2,4,6,10(13),14-hexaene-11-carboxamide (PubChem CID 168864652) has the molecular formula C15H12N2O and a molecular weight of 236.27 g/mol. Its IUPAC name is 8-azatetracyclo[7.6.0.02,7.010,13]pentadeca-1(9),2,4,6,10(13),14-hexaene-11-carboxamide.

Molecular Properties

Compound Name8-azatetracyclo[7.6.0.02,7.010,13]pentadeca-1(9),2,4,6,10(13),14-hexaene-11-carboxamide
PubChem CID168864652
Molecular FormulaC15H12N2O
Molecular Weight236.27 g/mol
Exact Mass236.09
IUPAC Name8-azatetracyclo[7.6.0.02,7.010,13]pentadeca-1(9),2,4,6,10(13),14-hexaene-11-carboxamide
SMILESNC(=O)C1Cc2ccc3c([nH]c4ccccc43)c21
InChIInChI=1S/C15H12N2O/c16-15(18)11-7-8-5-6-10-9-3-1-2-4-12(9)17-14(10)13(8)11/h1-6,11,17H,7H2,(H2,16,18)
InChIKeyPNGOCLOPSWDXHQ-UHFFFAOYSA-N
XLogP2.45
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-azatetracyclo[7.6.0.02,7.010,13]pentadeca-1(9),2,4,6,10(13),14-hexaene-11-carboxamide?
The IUPAC name of 8-azatetracyclo[7.6.0.02,7.010,13]pentadeca-1(9),2,4,6,10(13),14-hexaene-11-carboxamide (CID 168864652) is 8-azatetracyclo[7.6.0.02,7.010,13]pentadeca-1(9),2,4,6,10(13),14-hexaene-11-carboxamide.
What is the SMILES notation for 8-azatetracyclo[7.6.0.02,7.010,13]pentadeca-1(9),2,4,6,10(13),14-hexaene-11-carboxamide?
The canonical SMILES for 8-azatetracyclo[7.6.0.02,7.010,13]pentadeca-1(9),2,4,6,10(13),14-hexaene-11-carboxamide is NC(=O)C1Cc2ccc3c([nH]c4ccccc43)c21.
What is the InChIKey of 8-azatetracyclo[7.6.0.02,7.010,13]pentadeca-1(9),2,4,6,10(13),14-hexaene-11-carboxamide?
The InChIKey is PNGOCLOPSWDXHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O/c16-15(18)11-7-8-5-6-10-9-3-1-2-4-12(9)17-14(10)13(8)11/h1-6,11,17H,7H2,(H2,16,18).
What are the key properties of 8-azatetracyclo[7.6.0.02,7.010,13]pentadeca-1(9),2,4,6,10(13),14-hexaene-11-carboxamide?
8-azatetracyclo[7.6.0.02,7.010,13]pentadeca-1(9),2,4,6,10(13),14-hexaene-11-carboxamide has a molecular weight of 236.27 g/mol, XLogP of 2.45, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-azatetracyclo[7.6.0.02,7.010,13]pentadeca-1(9),2,4,6,10(13),14-hexaene-11-carboxamide is sourced from PubChem (CID 168864652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).