(1R,9R)-4-methoxy-6-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-3-ol

C18H25NO2 — CID 121267197

IUPAC(1R,9R)-4-methoxy-6-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-3-ol
SMILESCOc1cc(C)c2c(c1O)[C@@]13CCCCC1[C@@H](C2)NCC3
InChIInChI=1S/C18H25NO2/c1-11-9-15(21-2)17(20)16-12(11)10-14-13-5-3-4-6-18(13,16)7-8-19-14/h9,13-14,19-20H,3-8,10H2,1-2H3/t13?,14-,18-/m1/s1
InChIKeyGFNVQUQEOLZEII-JDPNFYKBSA-N
MW287.40 g/mol
LogP3.06
Rot. Bonds1

About (1R,9R)-4-methoxy-6-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-3-ol

(1R,9R)-4-methoxy-6-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-3-ol (PubChem CID 121267197) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is (1R,9R)-4-methoxy-6-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-3-ol.

Molecular Properties

Compound Name(1R,9R)-4-methoxy-6-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-3-ol
PubChem CID121267197
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name(1R,9R)-4-methoxy-6-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-3-ol
SMILESCOc1cc(C)c2c(c1O)[C@@]13CCCCC1[C@@H](C2)NCC3
InChIInChI=1S/C18H25NO2/c1-11-9-15(21-2)17(20)16-12(11)10-14-13-5-3-4-6-18(13,16)7-8-19-14/h9,13-14,19-20H,3-8,10H2,1-2H3/t13?,14-,18-/m1/s1
InChIKeyGFNVQUQEOLZEII-JDPNFYKBSA-N
XLogP3.06
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R,9R)-4-methoxy-6-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-3-ol?
The IUPAC name of (1R,9R)-4-methoxy-6-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-3-ol (CID 121267197) is (1R,9R)-4-methoxy-6-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-3-ol.
What is the SMILES notation for (1R,9R)-4-methoxy-6-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-3-ol?
The canonical SMILES for (1R,9R)-4-methoxy-6-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-3-ol is COc1cc(C)c2c(c1O)[C@@]13CCCCC1[C@@H](C2)NCC3.
What is the InChIKey of (1R,9R)-4-methoxy-6-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-3-ol?
The InChIKey is GFNVQUQEOLZEII-JDPNFYKBSA-N. The full InChI is InChI=1S/C18H25NO2/c1-11-9-15(21-2)17(20)16-12(11)10-14-13-5-3-4-6-18(13,16)7-8-19-14/h9,13-14,19-20H,3-8,10H2,1-2H3/t13?,14-,18-/m1/s1.
What are the key properties of (1R,9R)-4-methoxy-6-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-3-ol?
(1R,9R)-4-methoxy-6-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-3-ol has a molecular weight of 287.40 g/mol, XLogP of 3.06, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,9R)-4-methoxy-6-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-3-ol is sourced from PubChem (CID 121267197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).