2-(4-bromophenoxy)-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11,13-heptaen-16-one

C20H11BrN2O2 — CID 155762294

IUPAC2-(4-bromophenoxy)-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11,13-heptaen-16-one
SMILESO=C1c2c(nc3ccccc3c2Oc2ccc(Br)cc2)-c2cccn21
InChIInChI=1S/C20H11BrN2O2/c21-12-7-9-13(10-8-12)25-19-14-4-1-2-5-15(14)22-18-16-6-3-11-23(16)20(24)17(18)19/h1-11H
InChIKeyNYHSZBGQEGEGNL-UHFFFAOYSA-N
MW391.22 g/mol
LogP5.26
Rot. Bonds2

About 2-(4-bromophenoxy)-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11,13-heptaen-16-one

2-(4-bromophenoxy)-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11,13-heptaen-16-one (PubChem CID 155762294) has the molecular formula C20H11BrN2O2 and a molecular weight of 391.22 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11,13-heptaen-16-one.

Molecular Properties

Compound Name2-(4-bromophenoxy)-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11,13-heptaen-16-one
PubChem CID155762294
Molecular FormulaC20H11BrN2O2
Molecular Weight391.22 g/mol
Exact Mass390.00
IUPAC Name2-(4-bromophenoxy)-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11,13-heptaen-16-one
SMILESO=C1c2c(nc3ccccc3c2Oc2ccc(Br)cc2)-c2cccn21
InChIInChI=1S/C20H11BrN2O2/c21-12-7-9-13(10-8-12)25-19-14-4-1-2-5-15(14)22-18-16-6-3-11-23(16)20(24)17(18)19/h1-11H
InChIKeyNYHSZBGQEGEGNL-UHFFFAOYSA-N
XLogP5.26
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.22
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(4-bromophenoxy)-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11,13-heptaen-16-one with MolForge

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Related Compounds

2-(2-fluoroethoxy)-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11,13-heptaen-16-one
CID 155762144
2-(3-methylsulfonylpropoxy)-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11,13-heptaen-16-one
CID 155762159
2-(2,2-dimethylpropoxy)-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11,13-heptaen-16-one
CID 155762043
2-(4-fluorophenoxy)-16-oxo-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3(8),4,6,9,11,13-heptaene-5-carbonitrile
CID 155762283
2-[(4-fluorophenyl)methoxy]-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11,13-heptaen-16-one
CID 155762193
9-phenoxyacridine-1,4-dione
CID 102027445
3-bromo-4-phenoxy-2-phenylquinoline
CID 164676381
2-[(4-chlorophenyl)methoxy]-4-fluoro-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3(8),4,6,9,11,13-heptaen-16-one
CID 147882946
4-[(5-fluoro-16-oxo-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3(8),4,6,9,11,13-heptaen-2-yl)oxymethyl]benzonitrile
CID 155762145
9-(2-propoxyethoxy)-2,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11,13-heptaen-16-one;2-(2-propoxyethyl)-2,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3,5,7,11,13-hexaene-9,16-dione
CID 158323097
2-(4-bromophenoxy)quinoline-4-carboxamide
CID 749895
10-(4-bromophenyl)indeno[1,2-b]quinolin-11-one
CID 153437761

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11,13-heptaen-16-one?
The IUPAC name of 2-(4-bromophenoxy)-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11,13-heptaen-16-one (CID 155762294) is 2-(4-bromophenoxy)-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11,13-heptaen-16-one.
What is the SMILES notation for 2-(4-bromophenoxy)-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11,13-heptaen-16-one?
The canonical SMILES for 2-(4-bromophenoxy)-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11,13-heptaen-16-one is O=C1c2c(nc3ccccc3c2Oc2ccc(Br)cc2)-c2cccn21.
What is the InChIKey of 2-(4-bromophenoxy)-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11,13-heptaen-16-one?
The InChIKey is NYHSZBGQEGEGNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11BrN2O2/c21-12-7-9-13(10-8-12)25-19-14-4-1-2-5-15(14)22-18-16-6-3-11-23(16)20(24)17(18)19/h1-11H.
What are the key properties of 2-(4-bromophenoxy)-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11,13-heptaen-16-one?
2-(4-bromophenoxy)-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11,13-heptaen-16-one has a molecular weight of 391.22 g/mol, XLogP of 5.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11,13-heptaen-16-one is sourced from PubChem (CID 155762294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).