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

C18H21NO2 — CID 70491699

IUPAC17-methoxy-16-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2(7),9,11,14(18)-pentaen-3-ol
SMILESCOC1=C2C3=C(CC=CC3=CCC3=C2C(O)CCC3)CN1
InChIInChI=1S/C18H21NO2/c1-21-18-17-15-11(4-2-6-13(15)10-19-18)8-9-12-5-3-7-14(20)16(12)17/h2,4,8,14,19-20H,3,5-7,9-10H2,1H3
InChIKeyQFOLYHFOQSSWNB-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.88
Rot. Bonds1

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

17-methoxy-16-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2(7),9,11,14(18)-pentaen-3-ol (PubChem CID 70491699) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 17-methoxy-16-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2(7),9,11,14(18)-pentaen-3-ol.

Molecular Properties

Compound Name17-methoxy-16-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2(7),9,11,14(18)-pentaen-3-ol
PubChem CID70491699
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name17-methoxy-16-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2(7),9,11,14(18)-pentaen-3-ol
SMILESCOC1=C2C3=C(CC=CC3=CCC3=C2C(O)CCC3)CN1
InChIInChI=1S/C18H21NO2/c1-21-18-17-15-11(4-2-6-13(15)10-19-18)8-9-12-5-3-7-14(20)16(12)17/h2,4,8,14,19-20H,3,5-7,9-10H2,1H3
InChIKeyQFOLYHFOQSSWNB-UHFFFAOYSA-N
XLogP2.88
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-Ethyl-3,17-dimethoxy-16-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2(7),9,11,14(18)-pentaene
CID 70490212
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
3,17-Dimethoxy-5-methyl-16-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2(7),9,11,14(18)-pentaene
CID 70490399
2-(3,17-Dimethoxy-16-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2(7),9,11,14(18)-pentaen-5-yl)ethanol
CID 70490711
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
3,17-Dimethoxy-5-prop-2-enyl-16-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2(7),9,11,14(18)-pentaene
CID 70490963
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
3,17-Dimethoxy-5-propyl-16-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2(7),9,11,14(18)-pentaene
CID 70491789

Frequently Asked Questions

What is the IUPAC name of 17-methoxy-16-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2(7),9,11,14(18)-pentaen-3-ol?
The IUPAC name of 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) is 17-methoxy-16-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2(7),9,11,14(18)-pentaen-3-ol.
What is the SMILES notation for 17-methoxy-16-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2(7),9,11,14(18)-pentaen-3-ol?
The canonical SMILES for 17-methoxy-16-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2(7),9,11,14(18)-pentaen-3-ol is COC1=C2C3=C(CC=CC3=CCC3=C2C(O)CCC3)CN1.
What is the InChIKey of 17-methoxy-16-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2(7),9,11,14(18)-pentaen-3-ol?
The InChIKey is QFOLYHFOQSSWNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-21-18-17-15-11(4-2-6-13(15)10-19-18)8-9-12-5-3-7-14(20)16(12)17/h2,4,8,14,19-20H,3,5-7,9-10H2,1H3.
What are the key properties of 17-methoxy-16-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2(7),9,11,14(18)-pentaen-3-ol?
17-methoxy-16-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2(7),9,11,14(18)-pentaen-3-ol has a molecular weight of 283.37 g/mol, XLogP of 2.88, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 17-methoxy-16-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2(7),9,11,14(18)-pentaen-3-ol is sourced from PubChem (CID 70491699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).