7-oxo-N-phenyl-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15),11,13-hexaene-13-carboxamide

C20H14N4O2 — CID 54441912

IUPAC7-oxo-N-phenyl-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15),11,13-hexaene-13-carboxamide
SMILESO=C(Nc1ccccc1)c1ccc2c(c1)Cc1c-2[nH]c(=O)c2nccn12
InChIInChI=1S/C20H14N4O2/c25-19(22-14-4-2-1-3-5-14)12-6-7-15-13(10-12)11-16-17(15)23-20(26)18-21-8-9-24(16)18/h1-10H,11H2,(H,22,25)(H,23,26)
InChIKeyWOSGLGWIWQSIKF-UHFFFAOYSA-N
MW342.36 g/mol
LogP2.85
Rot. Bonds2

About 7-oxo-N-phenyl-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15),11,13-hexaene-13-carboxamide

7-oxo-N-phenyl-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15),11,13-hexaene-13-carboxamide (PubChem CID 54441912) has the molecular formula C20H14N4O2 and a molecular weight of 342.36 g/mol. Its IUPAC name is 7-oxo-N-phenyl-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15),11,13-hexaene-13-carboxamide.

Molecular Properties

Compound Name7-oxo-N-phenyl-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15),11,13-hexaene-13-carboxamide
PubChem CID54441912
Molecular FormulaC20H14N4O2
Molecular Weight342.36 g/mol
Exact Mass342.11
IUPAC Name7-oxo-N-phenyl-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15),11,13-hexaene-13-carboxamide
SMILESO=C(Nc1ccccc1)c1ccc2c(c1)Cc1c-2[nH]c(=O)c2nccn12
InChIInChI=1S/C20H14N4O2/c25-19(22-14-4-2-1-3-5-14)12-6-7-15-13(10-12)11-16-17(15)23-20(26)18-21-8-9-24(16)18/h1-10H,11H2,(H,22,25)(H,23,26)
InChIKeyWOSGLGWIWQSIKF-UHFFFAOYSA-N
XLogP2.85
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 7-oxo-N-phenyl-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15),11,13-hexaene-13-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(7-oxo-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15),11,13-hexaen-13-yl)-5-phenylpentanamide
CID 15293019
2-(7-oxo-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15),11,13-hexaen-13-yl)acetamide
CID 18790622
1-butyl-3-(7-oxo-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15),11,13-hexaen-13-yl)urea
CID 19066018
1-morpholin-4-yl-3-(7-oxo-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15),11,13-hexaen-13-yl)urea;hydrate
CID 19066048
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)-2-phenylacetamide;hydrate
CID 19066045
1,3-dioxo-N-phenylisoindole-5-carboxamide
CID 22001655
4-[(7-oxo-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10,12,14-hexaene-4-carbonyl)sulfamoyl]benzoic acid
CID 67718159
N-[4-(phenylcarbamoyl)-2-piperidin-1-ylphenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 141316907
N-(4-fluorophenyl)-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide
CID 4913378
2-(7-oxo-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10,12,14-hexaen-4-yl)benzoic acid
CID 150060540
7,7-dimethyl-N-phenyl-5,6,8,9-tetrahydrobenzo[7]annulene-3-carboxamide
CID 54464525
1-oxo-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)-3-phenyl-3,4-dihydroisochromene-6-carboxamide
CID 166187306

Frequently Asked Questions

What is the IUPAC name of 7-oxo-N-phenyl-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15),11,13-hexaene-13-carboxamide?
The IUPAC name of 7-oxo-N-phenyl-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15),11,13-hexaene-13-carboxamide (CID 54441912) is 7-oxo-N-phenyl-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15),11,13-hexaene-13-carboxamide.
What is the SMILES notation for 7-oxo-N-phenyl-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15),11,13-hexaene-13-carboxamide?
The canonical SMILES for 7-oxo-N-phenyl-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15),11,13-hexaene-13-carboxamide is O=C(Nc1ccccc1)c1ccc2c(c1)Cc1c-2[nH]c(=O)c2nccn12.
What is the InChIKey of 7-oxo-N-phenyl-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15),11,13-hexaene-13-carboxamide?
The InChIKey is WOSGLGWIWQSIKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4O2/c25-19(22-14-4-2-1-3-5-14)12-6-7-15-13(10-12)11-16-17(15)23-20(26)18-21-8-9-24(16)18/h1-10H,11H2,(H,22,25)(H,23,26).
What are the key properties of 7-oxo-N-phenyl-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15),11,13-hexaene-13-carboxamide?
7-oxo-N-phenyl-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15),11,13-hexaene-13-carboxamide has a molecular weight of 342.36 g/mol, XLogP of 2.85, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-oxo-N-phenyl-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15),11,13-hexaene-13-carboxamide is sourced from PubChem (CID 54441912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).