14-methoxy-5,15,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene-9-carbonitrile

C16H10N4O — CID 77106236

IUPAC14-methoxy-5,15,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene-9-carbonitrile
SMILESCOc1ccc2c(n1)[nH]c1c3ccncc3cc(C#N)c21
InChIInChI=1S/C16H10N4O/c1-21-13-3-2-12-14-9(7-17)6-10-8-18-5-4-11(10)15(14)20-16(12)19-13/h2-6,8H,1H3,(H,19,20)
InChIKeyRWAVDFHFFDMSHX-UHFFFAOYSA-N
MW274.28 g/mol
LogP3.14
Rot. Bonds1

About 14-methoxy-5,15,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene-9-carbonitrile

14-methoxy-5,15,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene-9-carbonitrile (PubChem CID 77106236) has the molecular formula C16H10N4O and a molecular weight of 274.28 g/mol. Its IUPAC name is 14-methoxy-5,15,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene-9-carbonitrile.

Molecular Properties

Compound Name14-methoxy-5,15,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene-9-carbonitrile
PubChem CID77106236
Molecular FormulaC16H10N4O
Molecular Weight274.28 g/mol
Exact Mass274.09
IUPAC Name14-methoxy-5,15,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene-9-carbonitrile
SMILESCOc1ccc2c(n1)[nH]c1c3ccncc3cc(C#N)c21
InChIInChI=1S/C16H10N4O/c1-21-13-3-2-12-14-9(7-17)6-10-8-18-5-4-11(10)15(14)20-16(12)19-13/h2-6,8H,1H3,(H,19,20)
InChIKeyRWAVDFHFFDMSHX-UHFFFAOYSA-N
XLogP3.14
TPSA74.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 14-methoxy-5,15,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene-9-carbonitrile with MolForge

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Related Compounds

Retelliptine
CID 68913
6H-Pyrido(4,3-b)carbazole, 1-((3-aminopropyl)amino)-9-methoxy-5-methyl-, dihydrate
CID 135594
6H-Pyrido(4,3-b)carbazole, 1-((3-(4-aminopropyl-1-piperazinyl)propyl)amino)-9-methoxy-5-methyl-
CID 135608
1,3-Propanediamine, N,N-diethyl-N'-(9-methoxy-5-methyl-6H-pyrido(4,3-b)carbazol-1-yl)-
CID 149478
6H-Pyrido(4,3-b)carbazole, 5,11-dimethyl-1-((3-(dimethylamino)propyl)amino)-9-methoxy-, ethanol
CID 153726
1,3-Propanediamine, N-ethyl-N'-(9-methoxy-5-methyl-6H-pyrido(4,3-b)carbazol-1-yl)-
CID 3068868
1,3-Propanediamine, N'-(5,11-dimethyl-9-methoxy-6H-pyrido(4,3-b)carbazol-1-yl)-N-ethyl-
CID 3068869
Rwj-68354
CID 9819053
9-methoxy-11H-pyrido[4,3-a]carbazole-6-carbonitrile
CID 77105816
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-pyridin-3-ylquinazolin-4-amine
CID 3234673
6H-Pyrido(4,3-b)carbazole, 1-((3-(N-aminopropyl)-N-ethylamino)propyl)amino-9-methoxy-5-methyl-
CID 135595
6H-Pyrido(4,3-b)carbazole, 1-((2-aminoethyl)amino)-9-methoxy-5-methyl-, hemihydrate
CID 153725

Frequently Asked Questions

What is the IUPAC name of 14-methoxy-5,15,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene-9-carbonitrile?
The IUPAC name of 14-methoxy-5,15,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene-9-carbonitrile (CID 77106236) is 14-methoxy-5,15,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene-9-carbonitrile.
What is the SMILES notation for 14-methoxy-5,15,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene-9-carbonitrile?
The canonical SMILES for 14-methoxy-5,15,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene-9-carbonitrile is COc1ccc2c(n1)[nH]c1c3ccncc3cc(C#N)c21.
What is the InChIKey of 14-methoxy-5,15,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene-9-carbonitrile?
The InChIKey is RWAVDFHFFDMSHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N4O/c1-21-13-3-2-12-14-9(7-17)6-10-8-18-5-4-11(10)15(14)20-16(12)19-13/h2-6,8H,1H3,(H,19,20).
What are the key properties of 14-methoxy-5,15,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene-9-carbonitrile?
14-methoxy-5,15,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene-9-carbonitrile has a molecular weight of 274.28 g/mol, XLogP of 3.14, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 14-methoxy-5,15,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene-9-carbonitrile is sourced from PubChem (CID 77106236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).