N-(7-oxo-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15),11,13-hexaen-14-yl)acetamide

C15H12N4O2 — CID 19065997

IUPACN-(7-oxo-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15),11,13-hexaen-14-yl)acetamide
SMILESCC(=O)Nc1cccc2c1Cc1c-2[nH]c(=O)c2nccn12
InChIInChI=1S/C15H12N4O2/c1-8(20)17-11-4-2-3-9-10(11)7-12-13(9)18-15(21)14-16-5-6-19(12)14/h2-6H,7H2,1H3,(H,17,20)(H,18,21)
InChIKeyBWHTZHLDHLCGTN-UHFFFAOYSA-N
MW280.29 g/mol
LogP1.55
Rot. Bonds1

About N-(7-oxo-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15),11,13-hexaen-14-yl)acetamide

N-(7-oxo-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15),11,13-hexaen-14-yl)acetamide (PubChem CID 19065997) has the molecular formula C15H12N4O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is N-(7-oxo-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15),11,13-hexaen-14-yl)acetamide.

Molecular Properties

Compound NameN-(7-oxo-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15),11,13-hexaen-14-yl)acetamide
PubChem CID19065997
Molecular FormulaC15H12N4O2
Molecular Weight280.29 g/mol
Exact Mass280.10
IUPAC NameN-(7-oxo-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15),11,13-hexaen-14-yl)acetamide
SMILESCC(=O)Nc1cccc2c1Cc1c-2[nH]c(=O)c2nccn12
InChIInChI=1S/C15H12N4O2/c1-8(20)17-11-4-2-3-9-10(11)7-12-13(9)18-15(21)14-16-5-6-19(12)14/h2-6H,7H2,1H3,(H,17,20)(H,18,21)
InChIKeyBWHTZHLDHLCGTN-UHFFFAOYSA-N
XLogP1.55
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(7-oxo-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15),11,13-hexaen-14-yl)acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(7-oxo-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15),11,13-hexaen-14-yl)acetamide?
The IUPAC name of N-(7-oxo-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15),11,13-hexaen-14-yl)acetamide (CID 19065997) is N-(7-oxo-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15),11,13-hexaen-14-yl)acetamide.
What is the SMILES notation for N-(7-oxo-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15),11,13-hexaen-14-yl)acetamide?
The canonical SMILES for N-(7-oxo-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15),11,13-hexaen-14-yl)acetamide is CC(=O)Nc1cccc2c1Cc1c-2[nH]c(=O)c2nccn12.
What is the InChIKey of N-(7-oxo-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15),11,13-hexaen-14-yl)acetamide?
The InChIKey is BWHTZHLDHLCGTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O2/c1-8(20)17-11-4-2-3-9-10(11)7-12-13(9)18-15(21)14-16-5-6-19(12)14/h2-6H,7H2,1H3,(H,17,20)(H,18,21).
What are the key properties of N-(7-oxo-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15),11,13-hexaen-14-yl)acetamide?
N-(7-oxo-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15),11,13-hexaen-14-yl)acetamide has a molecular weight of 280.29 g/mol, XLogP of 1.55, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-oxo-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15),11,13-hexaen-14-yl)acetamide is sourced from PubChem (CID 19065997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).