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)benzamide

C20H14N4O2 — CID 15293018

IUPACN-(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)benzamide
SMILESO=C(Nc1ccc2c(c1)Cc1c-2[nH]c(=O)c2nccn12)c1ccccc1
InChIInChI=1S/C20H14N4O2/c25-19(12-4-2-1-3-5-12)22-14-6-7-15-13(10-14)11-16-17(15)23-20(26)18-21-8-9-24(16)18/h1-10H,11H2,(H,22,25)(H,23,26)
InChIKeyQMGZEBDUIIJQFI-UHFFFAOYSA-N
MW342.36 g/mol
LogP2.85
Rot. Bonds2

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-13-yl)benzamide

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)benzamide (PubChem CID 15293018) has the molecular formula C20H14N4O2 and a molecular weight of 342.36 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-13-yl)benzamide.

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-13-yl)benzamide
PubChem CID15293018
Molecular FormulaC20H14N4O2
Molecular Weight342.36 g/mol
Exact Mass342.11
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-13-yl)benzamide
SMILESO=C(Nc1ccc2c(c1)Cc1c-2[nH]c(=O)c2nccn12)c1ccccc1
InChIInChI=1S/C20H14N4O2/c25-19(12-4-2-1-3-5-12)22-14-6-7-15-13(10-14)11-16-17(15)23-20(26)18-21-8-9-24(16)18/h1-10H,11H2,(H,22,25)(H,23,26)
InChIKeyQMGZEBDUIIJQFI-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 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)benzamide with MolForge

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Related Compounds

Agi-5198
CID 56645356
CK 2289
CID 127769
N-[3-(2-acetamidoimidazo[1,2-a]pyridin-6-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide
CID 56929808
N-[3-(2-acetamidoimidazo[1,2-a]pyridin-6-yl)-4-methylphenyl]-3-tert-butylbenzamide
CID 145973554
N-[3-(2-acetamidoimidazo[1,2-a]pyridin-6-yl)-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide
CID 145976309
N-(3,4-Dimethyl-phenyl)-2-imidazol-1-yl-acetamide
CID 686405
N-[4-(1H-imidazol-1-ylmethyl)phenyl]-3-(trifluoromethyl)benzamide
CID 1508858
N-(3-imidazo[1,2-a]pyridin-2-ylphenyl)benzamide
CID 5221932
CK 2130
CID 127770
4-(4-Imidazol-1-ylbenzoyl)-5-methyl-1,3-dihydroimidazol-2-one
CID 367855
N-[3-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
CID 875011
analog of CK 3197
CID 10023912

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-13-yl)benzamide?
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-13-yl)benzamide (CID 15293018) 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-13-yl)benzamide.
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-13-yl)benzamide?
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-13-yl)benzamide is O=C(Nc1ccc2c(c1)Cc1c-2[nH]c(=O)c2nccn12)c1ccccc1.
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-13-yl)benzamide?
The InChIKey is QMGZEBDUIIJQFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4O2/c25-19(12-4-2-1-3-5-12)22-14-6-7-15-13(10-14)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 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)benzamide?
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)benzamide 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 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)benzamide is sourced from PubChem (CID 15293018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).