2-methoxy-4-(2,3,5,12-tetrazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(16),4,6,8,10,13(17)-hexaen-14-yl)phenol

C20H18N4O2 — CID 71535322

IUPAC2-methoxy-4-(2,3,5,12-tetrazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(16),4,6,8,10,13(17)-hexaen-14-yl)phenol
SMILESCOc1cc(C2CC=C3c4c(c[nH]c42)C=CC2=CN=CNN23)ccc1O
InChIInChI=1S/C20H18N4O2/c1-26-18-8-12(3-7-17(18)25)15-5-6-16-19-13(9-22-20(15)19)2-4-14-10-21-11-23-24(14)16/h2-4,6-11,15,22,25H,5H2,1H3,(H,21,23)
InChIKeySBKCEBVKZCPMPH-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.32
Rot. Bonds2

About 2-methoxy-4-(2,3,5,12-tetrazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(16),4,6,8,10,13(17)-hexaen-14-yl)phenol

2-methoxy-4-(2,3,5,12-tetrazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(16),4,6,8,10,13(17)-hexaen-14-yl)phenol (PubChem CID 71535322) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 2-methoxy-4-(2,3,5,12-tetrazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(16),4,6,8,10,13(17)-hexaen-14-yl)phenol.

Molecular Properties

Compound Name2-methoxy-4-(2,3,5,12-tetrazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(16),4,6,8,10,13(17)-hexaen-14-yl)phenol
PubChem CID71535322
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Name2-methoxy-4-(2,3,5,12-tetrazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(16),4,6,8,10,13(17)-hexaen-14-yl)phenol
SMILESCOc1cc(C2CC=C3c4c(c[nH]c42)C=CC2=CN=CNN23)ccc1O
InChIInChI=1S/C20H18N4O2/c1-26-18-8-12(3-7-17(18)25)15-5-6-16-19-13(9-22-20(15)19)2-4-14-10-21-11-23-24(14)16/h2-4,6-11,15,22,25H,5H2,1H3,(H,21,23)
InChIKeySBKCEBVKZCPMPH-UHFFFAOYSA-N
XLogP3.32
TPSA72.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-methoxy-4-(2,3,5,12-tetrazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(16),4,6,8,10,13(17)-hexaen-14-yl)phenol with MolForge

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Related Compounds

4-[[2-(1H-indol-3-yl)ethylamino]methyl]-2-methoxyphenol
CID 39406436
5-[[benzyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]-2-methoxyphenol
CID 76308496
5-[[2-(1H-indol-3-yl)ethyl-(3-phenylpropyl)amino]methyl]-2-methoxyphenol
CID 76330261
5-[[2-(1H-indol-3-yl)ethyl-(2-phenylethyl)amino]methyl]-2-methoxyphenol
CID 76312166
4-[1H-indol-3-yl-(N-methylanilino)methyl]-2-methoxyphenol
CID 139222614
2-Fluoro-4-(2,3,5,12-tetrazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(16),4,6,8,10,13(17)-hexaen-14-yl)phenol
CID 71535321
14-(3-Fluoro-4-methoxyphenyl)-2,3,5,12-tetrazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(16),4,6,8,10,13(17)-hexaene
CID 71535610
3-Fluoro-4-(2,3,5,12-tetrazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(16),4,6,8,10,13(17)-hexaen-14-yl)phenol
CID 71537849
4-(4-Amino-2,3,5,12-tetrazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(16),4,6,8,10,13(17)-hexaen-14-yl)-3-fluorophenol
CID 71537852
4-[(Z)-1H-indol-3-yl(indol-3-ylidene)methyl]-2-methoxyphenol
CID 155807013
7-(3,4-dimethoxyphenyl)-4-phenyl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine
CID 101783310
2-(3,4-dimethoxyphenyl)-2-(1H-pyrrol-2-yl)ethanamine
CID 112477769

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-(2,3,5,12-tetrazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(16),4,6,8,10,13(17)-hexaen-14-yl)phenol?
The IUPAC name of 2-methoxy-4-(2,3,5,12-tetrazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(16),4,6,8,10,13(17)-hexaen-14-yl)phenol (CID 71535322) is 2-methoxy-4-(2,3,5,12-tetrazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(16),4,6,8,10,13(17)-hexaen-14-yl)phenol.
What is the SMILES notation for 2-methoxy-4-(2,3,5,12-tetrazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(16),4,6,8,10,13(17)-hexaen-14-yl)phenol?
The canonical SMILES for 2-methoxy-4-(2,3,5,12-tetrazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(16),4,6,8,10,13(17)-hexaen-14-yl)phenol is COc1cc(C2CC=C3c4c(c[nH]c42)C=CC2=CN=CNN23)ccc1O.
What is the InChIKey of 2-methoxy-4-(2,3,5,12-tetrazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(16),4,6,8,10,13(17)-hexaen-14-yl)phenol?
The InChIKey is SBKCEBVKZCPMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-26-18-8-12(3-7-17(18)25)15-5-6-16-19-13(9-22-20(15)19)2-4-14-10-21-11-23-24(14)16/h2-4,6-11,15,22,25H,5H2,1H3,(H,21,23).
What are the key properties of 2-methoxy-4-(2,3,5,12-tetrazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(16),4,6,8,10,13(17)-hexaen-14-yl)phenol?
2-methoxy-4-(2,3,5,12-tetrazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(16),4,6,8,10,13(17)-hexaen-14-yl)phenol has a molecular weight of 346.39 g/mol, XLogP of 3.32, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-(2,3,5,12-tetrazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(16),4,6,8,10,13(17)-hexaen-14-yl)phenol is sourced from PubChem (CID 71535322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).