11-chloro-17-azatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2(7),8,11,16-pentaene

C16H16ClN — CID 55186181

IUPAC11-chloro-17-azatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2(7),8,11,16-pentaene
SMILESClc1c2c(nc3c4c(ccc13)CCCC4)CCC2
InChIInChI=1S/C16H16ClN/c17-15-12-6-3-7-14(12)18-16-11-5-2-1-4-10(11)8-9-13(15)16/h8-9H,1-7H2
InChIKeyYDAUTMAFRXLUCM-UHFFFAOYSA-N
MW257.76 g/mol
LogP4.26
Rot. Bonds

About 11-chloro-17-azatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2(7),8,11,16-pentaene

11-chloro-17-azatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2(7),8,11,16-pentaene (PubChem CID 55186181) has the molecular formula C16H16ClN and a molecular weight of 257.76 g/mol. Its IUPAC name is 11-chloro-17-azatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2(7),8,11,16-pentaene.

Molecular Properties

Compound Name11-chloro-17-azatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2(7),8,11,16-pentaene
PubChem CID55186181
Molecular FormulaC16H16ClN
Molecular Weight257.76 g/mol
Exact Mass257.10
IUPAC Name11-chloro-17-azatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2(7),8,11,16-pentaene
SMILESClc1c2c(nc3c4c(ccc13)CCCC4)CCC2
InChIInChI=1S/C16H16ClN/c17-15-12-6-3-7-14(12)18-16-11-5-2-1-4-10(11)8-9-13(15)16/h8-9H,1-7H2
InChIKeyYDAUTMAFRXLUCM-UHFFFAOYSA-N
XLogP4.26
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 11-chloro-17-azatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2(7),8,11,16-pentaene?
The IUPAC name of 11-chloro-17-azatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2(7),8,11,16-pentaene (CID 55186181) is 11-chloro-17-azatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2(7),8,11,16-pentaene.
What is the SMILES notation for 11-chloro-17-azatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2(7),8,11,16-pentaene?
The canonical SMILES for 11-chloro-17-azatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2(7),8,11,16-pentaene is Clc1c2c(nc3c4c(ccc13)CCCC4)CCC2.
What is the InChIKey of 11-chloro-17-azatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2(7),8,11,16-pentaene?
The InChIKey is YDAUTMAFRXLUCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN/c17-15-12-6-3-7-14(12)18-16-11-5-2-1-4-10(11)8-9-13(15)16/h8-9H,1-7H2.
What are the key properties of 11-chloro-17-azatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2(7),8,11,16-pentaene?
11-chloro-17-azatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2(7),8,11,16-pentaene has a molecular weight of 257.76 g/mol, XLogP of 4.26, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11-chloro-17-azatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2(7),8,11,16-pentaene is sourced from PubChem (CID 55186181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).