4-bromo-14-(2-methoxyphenyl)-2,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7-tetraene

C19H19BrN2O — CID 122621394

IUPAC4-bromo-14-(2-methoxyphenyl)-2,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7-tetraene
SMILESCOc1ccccc1C1CCCCc2nc3ccc(Br)cn3c21
InChIInChI=1S/C19H19BrN2O/c1-23-17-9-5-3-6-14(17)15-7-2-4-8-16-19(15)22-12-13(20)10-11-18(22)21-16/h3,5-6,9-12,15H,2,4,7-8H2,1H3
InChIKeyWSYJNTMESOYIDR-UHFFFAOYSA-N
MW371.28 g/mol
LogP4.96
Rot. Bonds2

About 4-bromo-14-(2-methoxyphenyl)-2,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7-tetraene

4-bromo-14-(2-methoxyphenyl)-2,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7-tetraene (PubChem CID 122621394) has the molecular formula C19H19BrN2O and a molecular weight of 371.28 g/mol. Its IUPAC name is 4-bromo-14-(2-methoxyphenyl)-2,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7-tetraene.

Molecular Properties

Compound Name4-bromo-14-(2-methoxyphenyl)-2,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7-tetraene
PubChem CID122621394
Molecular FormulaC19H19BrN2O
Molecular Weight371.28 g/mol
Exact Mass370.07
IUPAC Name4-bromo-14-(2-methoxyphenyl)-2,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7-tetraene
SMILESCOc1ccccc1C1CCCCc2nc3ccc(Br)cn3c21
InChIInChI=1S/C19H19BrN2O/c1-23-17-9-5-3-6-14(17)15-7-2-4-8-16-19(15)22-12-13(20)10-11-18(22)21-16/h3,5-6,9-12,15H,2,4,7-8H2,1H3
InChIKeyWSYJNTMESOYIDR-UHFFFAOYSA-N
XLogP4.96
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.28
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-[9-(2-methoxyphenyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-2-yl]pyrimidin-2-yl]azepan-4-ol
CID 122622419
2-[5-[(3R)-3-(2-methoxyphenyl)-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraen-11-yl]pyrimidin-2-yl]propan-2-ol
CID 122622513
[4-fluoro-1-[5-[9-(2-methoxyphenyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-2-yl]pyrimidin-2-yl]piperidin-4-yl]methanol
CID 122621892
2-(2-methoxyphenyl)cycloheptan-1-one
CID 44718991
15-bromo-13,19-diazatricyclo[10.7.0.013,18]nonadeca-1(12),14,16,18-tetraene
CID 115403550
11-bromo-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraen-3-one;11-bromo-3-(2-methoxyphenyl)-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,9,11-pentaene;11-bromo-3-(2-methoxyphenyl)-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene;11-bromo-3-(2-methoxyphenyl)-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraen-3-ol;[3-(2-methoxyphenyl)-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraen-11-yl]boronic acid
CID 158082587
(3R)-11-bromo-3-[2-(difluoromethoxy)phenyl]-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraen-5-one;(3S)-11-bromo-3-[2-(difluoromethoxy)phenyl]-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraen-5-one
CID 160803491
2-bromo-7,9-dimethyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole
CID 115403526
(3R,5S)-11-bromo-3-[2-(difluoromethoxy)phenyl]-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraen-5-ol
CID 118153414
5-bromo-15-methyl-3,9,15-triazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),4,6,8-tetraene
CID 115403554
(3R)-11-bromo-3-(2-chlorophenyl)-10-fluoro-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene
CID 139504207
12-bromo-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene-3-carboxylic acid
CID 122540226

Frequently Asked Questions

What is the IUPAC name of 4-bromo-14-(2-methoxyphenyl)-2,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7-tetraene?
The IUPAC name of 4-bromo-14-(2-methoxyphenyl)-2,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7-tetraene (CID 122621394) is 4-bromo-14-(2-methoxyphenyl)-2,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7-tetraene.
What is the SMILES notation for 4-bromo-14-(2-methoxyphenyl)-2,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7-tetraene?
The canonical SMILES for 4-bromo-14-(2-methoxyphenyl)-2,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7-tetraene is COc1ccccc1C1CCCCc2nc3ccc(Br)cn3c21.
What is the InChIKey of 4-bromo-14-(2-methoxyphenyl)-2,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7-tetraene?
The InChIKey is WSYJNTMESOYIDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN2O/c1-23-17-9-5-3-6-14(17)15-7-2-4-8-16-19(15)22-12-13(20)10-11-18(22)21-16/h3,5-6,9-12,15H,2,4,7-8H2,1H3.
What are the key properties of 4-bromo-14-(2-methoxyphenyl)-2,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7-tetraene?
4-bromo-14-(2-methoxyphenyl)-2,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7-tetraene has a molecular weight of 371.28 g/mol, XLogP of 4.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-14-(2-methoxyphenyl)-2,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7-tetraene is sourced from PubChem (CID 122621394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).