14-chloro-N'-hydroxy-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene-5-carboximidamide

C13H10ClN7O — CID 54160815

IUPAC14-chloro-N'-hydroxy-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene-5-carboximidamide
SMILESNC(=NO)c1ncn2c1Cn1ncnc1-c1c(Cl)cccc1-2
InChIInChI=1S/C13H10ClN7O/c14-7-2-1-3-8-10(7)13-16-5-18-21(13)4-9-11(12(15)19-22)17-6-20(8)9/h1-3,5-6,22H,4H2,(H2,15,19)
InChIKeyOOGSRLXLHVPTGE-UHFFFAOYSA-N
MW315.72 g/mol
LogP1.24
Rot. Bonds1

About 14-chloro-N'-hydroxy-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene-5-carboximidamide

14-chloro-N'-hydroxy-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene-5-carboximidamide (PubChem CID 54160815) has the molecular formula C13H10ClN7O and a molecular weight of 315.72 g/mol. Its IUPAC name is 14-chloro-N'-hydroxy-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene-5-carboximidamide.

Molecular Properties

Compound Name14-chloro-N'-hydroxy-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene-5-carboximidamide
PubChem CID54160815
Molecular FormulaC13H10ClN7O
Molecular Weight315.72 g/mol
Exact Mass315.06
IUPAC Name14-chloro-N'-hydroxy-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene-5-carboximidamide
SMILESNC(=NO)c1ncn2c1Cn1ncnc1-c1c(Cl)cccc1-2
InChIInChI=1S/C13H10ClN7O/c14-7-2-1-3-8-10(7)13-16-5-18-21(13)4-9-11(12(15)19-22)17-6-20(8)9/h1-3,5-6,22H,4H2,(H2,15,19)
InChIKeyOOGSRLXLHVPTGE-UHFFFAOYSA-N
XLogP1.24
TPSA107.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.72
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 14-chloro-N'-hydroxy-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene-5-carboximidamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 14-chloro-N'-hydroxy-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene-5-carboximidamide?
The IUPAC name of 14-chloro-N'-hydroxy-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene-5-carboximidamide (CID 54160815) is 14-chloro-N'-hydroxy-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene-5-carboximidamide.
What is the SMILES notation for 14-chloro-N'-hydroxy-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene-5-carboximidamide?
The canonical SMILES for 14-chloro-N'-hydroxy-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene-5-carboximidamide is NC(=NO)c1ncn2c1Cn1ncnc1-c1c(Cl)cccc1-2.
What is the InChIKey of 14-chloro-N'-hydroxy-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene-5-carboximidamide?
The InChIKey is OOGSRLXLHVPTGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN7O/c14-7-2-1-3-8-10(7)13-16-5-18-21(13)4-9-11(12(15)19-22)17-6-20(8)9/h1-3,5-6,22H,4H2,(H2,15,19).
What are the key properties of 14-chloro-N'-hydroxy-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene-5-carboximidamide?
14-chloro-N'-hydroxy-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene-5-carboximidamide has a molecular weight of 315.72 g/mol, XLogP of 1.24, 1 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 14-chloro-N'-hydroxy-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene-5-carboximidamide is sourced from PubChem (CID 54160815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).