16-acetyl-15-chloro-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one

C18H10ClNO2 — CID 761589

IUPAC16-acetyl-15-chloro-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one
SMILESCC(=O)c1c(Cl)nc2cccc3c2c1-c1ccccc1C3=O
InChIInChI=1S/C18H10ClNO2/c1-9(21)14-16-10-5-2-3-6-11(10)17(22)12-7-4-8-13(15(12)16)20-18(14)19/h2-8H,1H3
InChIKeyFIAZOXXQTRZNNL-UHFFFAOYSA-N
MW307.74 g/mol
LogP4.30
Rot. Bonds1

About 16-acetyl-15-chloro-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one

16-acetyl-15-chloro-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one (PubChem CID 761589) has the molecular formula C18H10ClNO2 and a molecular weight of 307.74 g/mol. Its IUPAC name is 16-acetyl-15-chloro-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one.

Molecular Properties

Compound Name16-acetyl-15-chloro-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one
PubChem CID761589
Molecular FormulaC18H10ClNO2
Molecular Weight307.74 g/mol
Exact Mass307.04
IUPAC Name16-acetyl-15-chloro-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one
SMILESCC(=O)c1c(Cl)nc2cccc3c2c1-c1ccccc1C3=O
InChIInChI=1S/C18H10ClNO2/c1-9(21)14-16-10-5-2-3-6-11(10)17(22)12-7-4-8-13(15(12)16)20-18(14)19/h2-8H,1H3
InChIKeyFIAZOXXQTRZNNL-UHFFFAOYSA-N
XLogP4.30
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.74
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 16-acetyl-15-chloro-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 16-acetyl-15-chloro-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one?
The IUPAC name of 16-acetyl-15-chloro-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one (CID 761589) is 16-acetyl-15-chloro-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one.
What is the SMILES notation for 16-acetyl-15-chloro-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one?
The canonical SMILES for 16-acetyl-15-chloro-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one is CC(=O)c1c(Cl)nc2cccc3c2c1-c1ccccc1C3=O.
What is the InChIKey of 16-acetyl-15-chloro-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one?
The InChIKey is FIAZOXXQTRZNNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10ClNO2/c1-9(21)14-16-10-5-2-3-6-11(10)17(22)12-7-4-8-13(15(12)16)20-18(14)19/h2-8H,1H3.
What are the key properties of 16-acetyl-15-chloro-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one?
16-acetyl-15-chloro-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one has a molecular weight of 307.74 g/mol, XLogP of 4.30, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 16-acetyl-15-chloro-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one is sourced from PubChem (CID 761589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).