6-chloro-8-oxo-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene-15-carboxylic acid

C17H8ClNO3 — CID 10678131

IUPAC6-chloro-8-oxo-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene-15-carboxylic acid
SMILESO=C(O)c1cc2c3c(cccc3n1)C(=O)c1c(Cl)cccc1-2
InChIInChI=1S/C17H8ClNO3/c18-11-5-1-3-8-10-7-13(17(21)22)19-12-6-2-4-9(14(10)12)16(20)15(8)11/h1-7H,(H,21,22)
InChIKeyHXYWAUCATFSBGG-UHFFFAOYSA-N
MW309.71 g/mol
LogP3.80
Rot. Bonds1

About 6-chloro-8-oxo-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene-15-carboxylic acid

6-chloro-8-oxo-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene-15-carboxylic acid (PubChem CID 10678131) has the molecular formula C17H8ClNO3 and a molecular weight of 309.71 g/mol. Its IUPAC name is 6-chloro-8-oxo-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene-15-carboxylic acid.

Molecular Properties

Compound Name6-chloro-8-oxo-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene-15-carboxylic acid
PubChem CID10678131
Molecular FormulaC17H8ClNO3
Molecular Weight309.71 g/mol
Exact Mass309.02
IUPAC Name6-chloro-8-oxo-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene-15-carboxylic acid
SMILESO=C(O)c1cc2c3c(cccc3n1)C(=O)c1c(Cl)cccc1-2
InChIInChI=1S/C17H8ClNO3/c18-11-5-1-3-8-10-7-13(17(21)22)19-12-6-2-4-9(14(10)12)16(20)15(8)11/h1-7H,(H,21,22)
InChIKeyHXYWAUCATFSBGG-UHFFFAOYSA-N
XLogP3.80
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.71
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-chloro-8-oxo-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene-15-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-8-oxo-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene-15-carboxylic acid?
The IUPAC name of 6-chloro-8-oxo-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene-15-carboxylic acid (CID 10678131) is 6-chloro-8-oxo-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene-15-carboxylic acid.
What is the SMILES notation for 6-chloro-8-oxo-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene-15-carboxylic acid?
The canonical SMILES for 6-chloro-8-oxo-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene-15-carboxylic acid is O=C(O)c1cc2c3c(cccc3n1)C(=O)c1c(Cl)cccc1-2.
What is the InChIKey of 6-chloro-8-oxo-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene-15-carboxylic acid?
The InChIKey is HXYWAUCATFSBGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H8ClNO3/c18-11-5-1-3-8-10-7-13(17(21)22)19-12-6-2-4-9(14(10)12)16(20)15(8)11/h1-7H,(H,21,22).
What are the key properties of 6-chloro-8-oxo-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene-15-carboxylic acid?
6-chloro-8-oxo-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene-15-carboxylic acid has a molecular weight of 309.71 g/mol, XLogP of 3.80, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-8-oxo-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene-15-carboxylic acid is sourced from PubChem (CID 10678131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).