6-oxa-9,17-diazatetracyclo[8.7.1.05,18.011,16]octadeca-1(18),2,4,10,16-pentaene;hydrochloride

C15H17ClN2O — CID 67756520

IUPAC6-oxa-9,17-diazatetracyclo[8.7.1.05,18.011,16]octadeca-1(18),2,4,10,16-pentaene;hydrochloride
SMILESCl.c1cc2c3c(c4c(nc3c1)CCCC4)NCCO2
InChIInChI=1S/C15H16N2O.ClH/c1-2-5-11-10(4-1)15-14-12(17-11)6-3-7-13(14)18-9-8-16-15;/h3,6-7,16H,1-2,4-5,8-9H2;1H
InChIKeyDFBWNWVBBAKWDP-UHFFFAOYSA-N
MW276.77 g/mol
LogP3.34
Rot. Bonds

About 6-oxa-9,17-diazatetracyclo[8.7.1.05,18.011,16]octadeca-1(18),2,4,10,16-pentaene;hydrochloride

6-oxa-9,17-diazatetracyclo[8.7.1.05,18.011,16]octadeca-1(18),2,4,10,16-pentaene;hydrochloride (PubChem CID 67756520) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is 6-oxa-9,17-diazatetracyclo[8.7.1.05,18.011,16]octadeca-1(18),2,4,10,16-pentaene;hydrochloride.

Molecular Properties

Compound Name6-oxa-9,17-diazatetracyclo[8.7.1.05,18.011,16]octadeca-1(18),2,4,10,16-pentaene;hydrochloride
PubChem CID67756520
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC Name6-oxa-9,17-diazatetracyclo[8.7.1.05,18.011,16]octadeca-1(18),2,4,10,16-pentaene;hydrochloride
SMILESCl.c1cc2c3c(c4c(nc3c1)CCCC4)NCCO2
InChIInChI=1S/C15H16N2O.ClH/c1-2-5-11-10(4-1)15-14-12(17-11)6-3-7-13(14)18-9-8-16-15;/h3,6-7,16H,1-2,4-5,8-9H2;1H
InChIKeyDFBWNWVBBAKWDP-UHFFFAOYSA-N
XLogP3.34
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-oxa-9,17-diazatetracyclo[8.7.1.05,18.011,16]octadeca-1(18),2,4,10,16-pentaene;hydrochloride?
The IUPAC name of 6-oxa-9,17-diazatetracyclo[8.7.1.05,18.011,16]octadeca-1(18),2,4,10,16-pentaene;hydrochloride (CID 67756520) is 6-oxa-9,17-diazatetracyclo[8.7.1.05,18.011,16]octadeca-1(18),2,4,10,16-pentaene;hydrochloride.
What is the SMILES notation for 6-oxa-9,17-diazatetracyclo[8.7.1.05,18.011,16]octadeca-1(18),2,4,10,16-pentaene;hydrochloride?
The canonical SMILES for 6-oxa-9,17-diazatetracyclo[8.7.1.05,18.011,16]octadeca-1(18),2,4,10,16-pentaene;hydrochloride is Cl.c1cc2c3c(c4c(nc3c1)CCCC4)NCCO2.
What is the InChIKey of 6-oxa-9,17-diazatetracyclo[8.7.1.05,18.011,16]octadeca-1(18),2,4,10,16-pentaene;hydrochloride?
The InChIKey is DFBWNWVBBAKWDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O.ClH/c1-2-5-11-10(4-1)15-14-12(17-11)6-3-7-13(14)18-9-8-16-15;/h3,6-7,16H,1-2,4-5,8-9H2;1H.
What are the key properties of 6-oxa-9,17-diazatetracyclo[8.7.1.05,18.011,16]octadeca-1(18),2,4,10,16-pentaene;hydrochloride?
6-oxa-9,17-diazatetracyclo[8.7.1.05,18.011,16]octadeca-1(18),2,4,10,16-pentaene;hydrochloride has a molecular weight of 276.77 g/mol, XLogP of 3.34, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxa-9,17-diazatetracyclo[8.7.1.05,18.011,16]octadeca-1(18),2,4,10,16-pentaene;hydrochloride is sourced from PubChem (CID 67756520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).