13-chloro-11-oxo-2,4,10-triazatetracyclo[10.4.0.02,6.07,10]hexadeca-1(16),3,5,12,14-pentaene-5-carboxylic acid

C14H10ClN3O3 — CID 21289943

IUPAC13-chloro-11-oxo-2,4,10-triazatetracyclo[10.4.0.02,6.07,10]hexadeca-1(16),3,5,12,14-pentaene-5-carboxylic acid
SMILESO=C(O)c1ncn2c1C1CCN1C(=O)c1c(Cl)cccc1-2
InChIInChI=1S/C14H10ClN3O3/c15-7-2-1-3-8-10(7)13(19)17-5-4-9(17)12-11(14(20)21)16-6-18(8)12/h1-3,6,9H,4-5H2,(H,20,21)
InChIKeyCORDBGAXOSVCEX-UHFFFAOYSA-N
MW303.71 g/mol
LogP2.12
Rot. Bonds1

About 13-chloro-11-oxo-2,4,10-triazatetracyclo[10.4.0.02,6.07,10]hexadeca-1(16),3,5,12,14-pentaene-5-carboxylic acid

13-chloro-11-oxo-2,4,10-triazatetracyclo[10.4.0.02,6.07,10]hexadeca-1(16),3,5,12,14-pentaene-5-carboxylic acid (PubChem CID 21289943) has the molecular formula C14H10ClN3O3 and a molecular weight of 303.71 g/mol. Its IUPAC name is 13-chloro-11-oxo-2,4,10-triazatetracyclo[10.4.0.02,6.07,10]hexadeca-1(16),3,5,12,14-pentaene-5-carboxylic acid.

Molecular Properties

Compound Name13-chloro-11-oxo-2,4,10-triazatetracyclo[10.4.0.02,6.07,10]hexadeca-1(16),3,5,12,14-pentaene-5-carboxylic acid
PubChem CID21289943
Molecular FormulaC14H10ClN3O3
Molecular Weight303.71 g/mol
Exact Mass303.04
IUPAC Name13-chloro-11-oxo-2,4,10-triazatetracyclo[10.4.0.02,6.07,10]hexadeca-1(16),3,5,12,14-pentaene-5-carboxylic acid
SMILESO=C(O)c1ncn2c1C1CCN1C(=O)c1c(Cl)cccc1-2
InChIInChI=1S/C14H10ClN3O3/c15-7-2-1-3-8-10(7)13(19)17-5-4-9(17)12-11(14(20)21)16-6-18(8)12/h1-3,6,9H,4-5H2,(H,20,21)
InChIKeyCORDBGAXOSVCEX-UHFFFAOYSA-N
XLogP2.12
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.71
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 13-chloro-11-oxo-2,4,10-triazatetracyclo[10.4.0.02,6.07,10]hexadeca-1(16),3,5,12,14-pentaene-5-carboxylic acid?
The IUPAC name of 13-chloro-11-oxo-2,4,10-triazatetracyclo[10.4.0.02,6.07,10]hexadeca-1(16),3,5,12,14-pentaene-5-carboxylic acid (CID 21289943) is 13-chloro-11-oxo-2,4,10-triazatetracyclo[10.4.0.02,6.07,10]hexadeca-1(16),3,5,12,14-pentaene-5-carboxylic acid.
What is the SMILES notation for 13-chloro-11-oxo-2,4,10-triazatetracyclo[10.4.0.02,6.07,10]hexadeca-1(16),3,5,12,14-pentaene-5-carboxylic acid?
The canonical SMILES for 13-chloro-11-oxo-2,4,10-triazatetracyclo[10.4.0.02,6.07,10]hexadeca-1(16),3,5,12,14-pentaene-5-carboxylic acid is O=C(O)c1ncn2c1C1CCN1C(=O)c1c(Cl)cccc1-2.
What is the InChIKey of 13-chloro-11-oxo-2,4,10-triazatetracyclo[10.4.0.02,6.07,10]hexadeca-1(16),3,5,12,14-pentaene-5-carboxylic acid?
The InChIKey is CORDBGAXOSVCEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O3/c15-7-2-1-3-8-10(7)13(19)17-5-4-9(17)12-11(14(20)21)16-6-18(8)12/h1-3,6,9H,4-5H2,(H,20,21).
What are the key properties of 13-chloro-11-oxo-2,4,10-triazatetracyclo[10.4.0.02,6.07,10]hexadeca-1(16),3,5,12,14-pentaene-5-carboxylic acid?
13-chloro-11-oxo-2,4,10-triazatetracyclo[10.4.0.02,6.07,10]hexadeca-1(16),3,5,12,14-pentaene-5-carboxylic acid has a molecular weight of 303.71 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 13-chloro-11-oxo-2,4,10-triazatetracyclo[10.4.0.02,6.07,10]hexadeca-1(16),3,5,12,14-pentaene-5-carboxylic acid is sourced from PubChem (CID 21289943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).