8-benzyl-4,7,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11,13,15-hexaene

C20H17N3 — CID 68557749

IUPAC8-benzyl-4,7,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11,13,15-hexaene
SMILESc1ccc(Cc2nc3c(c4c2[nH]c2ccccc24)CNC3)cc1
InChIInChI=1S/C20H17N3/c1-2-6-13(7-3-1)10-17-20-19(15-11-21-12-18(15)22-17)14-8-4-5-9-16(14)23-20/h1-9,21,23H,10-12H2
InChIKeyWEZOVIJGHSLKNF-UHFFFAOYSA-N
MW299.38 g/mol
LogP3.91
Rot. Bonds2

About 8-benzyl-4,7,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11,13,15-hexaene

8-benzyl-4,7,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11,13,15-hexaene (PubChem CID 68557749) has the molecular formula C20H17N3 and a molecular weight of 299.38 g/mol. Its IUPAC name is 8-benzyl-4,7,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11,13,15-hexaene.

Molecular Properties

Compound Name8-benzyl-4,7,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11,13,15-hexaene
PubChem CID68557749
Molecular FormulaC20H17N3
Molecular Weight299.38 g/mol
Exact Mass299.14
IUPAC Name8-benzyl-4,7,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11,13,15-hexaene
SMILESc1ccc(Cc2nc3c(c4c2[nH]c2ccccc24)CNC3)cc1
InChIInChI=1S/C20H17N3/c1-2-6-13(7-3-1)10-17-20-19(15-11-21-12-18(15)22-17)14-8-4-5-9-16(14)23-20/h1-9,21,23H,10-12H2
InChIKeyWEZOVIJGHSLKNF-UHFFFAOYSA-N
XLogP3.91
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-[(4-methoxyphenyl)methyl]-2,3,4,7-tetrahydro-1H-indolo[2,3-c]quinolin-2-ol
CID 44819444
2-hydroxy-1-[6-[(4-methoxyphenyl)methyl]-1,2,4,7-tetrahydroindolo[2,3-c][1,7]naphthyridin-3-yl]ethanone
CID 68558078
[6-[(3,5-difluoro-4-methoxyphenyl)methyl]-1,2,4,7-tetrahydroindolo[2,3-c][1,7]naphthyridin-3-yl]-[(1R,2S)-2-hydroxycyclopentyl]methanone
CID 68559094
1-methoxy-6-[(4-methoxyphenyl)methyl]-3,3-dimethyl-1,2,4,7-tetrahydroindolo[2,3-c]quinoline
CID 44818182
[4-[(1-oxo-2,3,4,7-tetrahydroindolo[2,3-c]quinolin-6-yl)methyl]phenyl]urea
CID 68714595
6-[[3-(fluoromethoxy)phenyl]methyl]-2,3,4,7-tetrahydro-1H-indolo[2,3-c][1,8]naphthyridine
CID 66955551
6-[[3-(fluoromethoxy)phenyl]methyl]-4-methyl-1,2,3,7-tetrahydroindolo[2,3-c][1,8]naphthyridine
CID 66955676
3-benzyl-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole
CID 112710449
2-benzyl-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114741385
1-[6-[(4-fluoro-3-methoxyphenyl)methyl]-1,2,4,7-tetrahydroindolo[2,3-c][1,7]naphthyridin-3-yl]ethanone
CID 68559478
3-benzyl-7H-[1,2,4]triazino[4,3-c]quinazoline-4,6-dione
CID 135872932
1-[6-(1,3-benzodioxol-5-ylmethyl)-1,2,4,7-tetrahydroindolo[2,3-c][1,7]naphthyridin-3-yl]-2-hydroxypropan-1-one
CID 44820338

Frequently Asked Questions

What is the IUPAC name of 8-benzyl-4,7,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11,13,15-hexaene?
The IUPAC name of 8-benzyl-4,7,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11,13,15-hexaene (CID 68557749) is 8-benzyl-4,7,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11,13,15-hexaene.
What is the SMILES notation for 8-benzyl-4,7,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11,13,15-hexaene?
The canonical SMILES for 8-benzyl-4,7,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11,13,15-hexaene is c1ccc(Cc2nc3c(c4c2[nH]c2ccccc24)CNC3)cc1.
What is the InChIKey of 8-benzyl-4,7,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11,13,15-hexaene?
The InChIKey is WEZOVIJGHSLKNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3/c1-2-6-13(7-3-1)10-17-20-19(15-11-21-12-18(15)22-17)14-8-4-5-9-16(14)23-20/h1-9,21,23H,10-12H2.
What are the key properties of 8-benzyl-4,7,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11,13,15-hexaene?
8-benzyl-4,7,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11,13,15-hexaene has a molecular weight of 299.38 g/mol, XLogP of 3.91, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-4,7,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11,13,15-hexaene is sourced from PubChem (CID 68557749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).