16-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2(7),9,11,14(18)-pentaene-3,17-diol

C17H19NO2 — CID 70491785

IUPAC16-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2(7),9,11,14(18)-pentaene-3,17-diol
SMILESOC1=C2C3=C(CC=CC3=CCC3=C2C(O)CCC3)CN1
InChIInChI=1S/C17H19NO2/c19-13-6-2-4-11-8-7-10-3-1-5-12-9-18-17(20)16(14(10)12)15(11)13/h1,3,7,13,18-20H,2,4-6,8-9H2
InChIKeyFRQDZEQNYCCCIK-UHFFFAOYSA-N
MW269.34 g/mol
LogP2.79
Rot. Bonds

About 16-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2(7),9,11,14(18)-pentaene-3,17-diol

16-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2(7),9,11,14(18)-pentaene-3,17-diol (PubChem CID 70491785) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 16-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2(7),9,11,14(18)-pentaene-3,17-diol.

Molecular Properties

Compound Name16-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2(7),9,11,14(18)-pentaene-3,17-diol
PubChem CID70491785
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name16-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2(7),9,11,14(18)-pentaene-3,17-diol
SMILESOC1=C2C3=C(CC=CC3=CCC3=C2C(O)CCC3)CN1
InChIInChI=1S/C17H19NO2/c19-13-6-2-4-11-8-7-10-3-1-5-12-9-18-17(20)16(14(10)12)15(11)13/h1,3,7,13,18-20H,2,4-6,8-9H2
InChIKeyFRQDZEQNYCCCIK-UHFFFAOYSA-N
XLogP2.79
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3,17-Dimethoxy-16-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2(7),9,11,14(18)-pentaene;hydrochloride
CID 70490350
3,17-Dimethoxy-16-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2(7),9,11,14(18)-pentaene
CID 70490351
5-Methyl-16-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2(7),9,11,14(18)-pentaene-3,17-diol;hydrobromide
CID 70490915
5-(2-Hydroxyethyl)-16-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2(7),9,11,14(18)-pentaene-3,17-diol;hydrobromide
CID 70490926
5-(2-Hydroxyethyl)-17-methoxy-16-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2(7),9,11,14(18)-pentaen-3-ol
CID 70491200
17-Methoxy-16-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2(7),9,11,14(18)-pentaen-3-ol;hydrochloride
CID 70491698
16-Azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2(7),9,11,14(18)-pentaene-3,17-diol;hydrobromide
CID 70491784
1,2,3,4,5,6,7,10-Octahydrobenzo[g]quinoline-6,7-diol
CID 140251121
(6E)-6-[[[(Z)-3-(2-ethyl-3-hydroxycyclohepten-1-yl)prop-2-enyl]amino]methylidene]cyclohexa-2,4-diene-1,2-diol
CID 163581212
5-Methyl-16-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2(7),9,11,14(18)-pentaene-3,17-diol
CID 70490916
5-(2-Hydroxyethyl)-16-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2(7),9,11,14(18)-pentaene-3,17-diol
CID 70490927
17-Methoxy-16-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2(7),9,11,14(18)-pentaen-3-ol
CID 70491699

Frequently Asked Questions

What is the IUPAC name of 16-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2(7),9,11,14(18)-pentaene-3,17-diol?
The IUPAC name of 16-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2(7),9,11,14(18)-pentaene-3,17-diol (CID 70491785) is 16-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2(7),9,11,14(18)-pentaene-3,17-diol.
What is the SMILES notation for 16-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2(7),9,11,14(18)-pentaene-3,17-diol?
The canonical SMILES for 16-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2(7),9,11,14(18)-pentaene-3,17-diol is OC1=C2C3=C(CC=CC3=CCC3=C2C(O)CCC3)CN1.
What is the InChIKey of 16-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2(7),9,11,14(18)-pentaene-3,17-diol?
The InChIKey is FRQDZEQNYCCCIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c19-13-6-2-4-11-8-7-10-3-1-5-12-9-18-17(20)16(14(10)12)15(11)13/h1,3,7,13,18-20H,2,4-6,8-9H2.
What are the key properties of 16-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2(7),9,11,14(18)-pentaene-3,17-diol?
16-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2(7),9,11,14(18)-pentaene-3,17-diol has a molecular weight of 269.34 g/mol, XLogP of 2.79, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 16-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2(7),9,11,14(18)-pentaene-3,17-diol is sourced from PubChem (CID 70491785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).