5-bromo-8-[6-(5-bromoquinolin-8-yl)oxy-5-nitropyrimidin-4-yl]oxyquinoline

C22H11Br2N5O4 — CID 22537587

IUPAC5-bromo-8-[6-(5-bromoquinolin-8-yl)oxy-5-nitropyrimidin-4-yl]oxyquinoline
SMILESO=[N+]([O-])c1c(Oc2ccc(Br)c3cccnc23)ncnc1Oc1ccc(Br)c2cccnc12
InChIInChI=1S/C22H11Br2N5O4/c23-14-5-7-16(18-12(14)3-1-9-25-18)32-21-20(29(30)31)22(28-11-27-21)33-17-8-6-15(24)13-4-2-10-26-19(13)17/h1-11H
InChIKeyRTXSQDXRPIDHRW-UHFFFAOYSA-N
MW569.17 g/mol
LogP6.59
Rot. Bonds5

About 5-bromo-8-[6-(5-bromoquinolin-8-yl)oxy-5-nitropyrimidin-4-yl]oxyquinoline

5-bromo-8-[6-(5-bromoquinolin-8-yl)oxy-5-nitropyrimidin-4-yl]oxyquinoline (PubChem CID 22537587) has the molecular formula C22H11Br2N5O4 and a molecular weight of 569.17 g/mol. Its IUPAC name is 5-bromo-8-[6-(5-bromoquinolin-8-yl)oxy-5-nitropyrimidin-4-yl]oxyquinoline.

Molecular Properties

Compound Name5-bromo-8-[6-(5-bromoquinolin-8-yl)oxy-5-nitropyrimidin-4-yl]oxyquinoline
PubChem CID22537587
Molecular FormulaC22H11Br2N5O4
Molecular Weight569.17 g/mol
Exact Mass566.92
IUPAC Name5-bromo-8-[6-(5-bromoquinolin-8-yl)oxy-5-nitropyrimidin-4-yl]oxyquinoline
SMILESO=[N+]([O-])c1c(Oc2ccc(Br)c3cccnc23)ncnc1Oc1ccc(Br)c2cccnc12
InChIInChI=1S/C22H11Br2N5O4/c23-14-5-7-16(18-12(14)3-1-9-25-18)32-21-20(29(30)31)22(28-11-27-21)33-17-8-6-15(24)13-4-2-10-26-19(13)17/h1-11H
InChIKeyRTXSQDXRPIDHRW-UHFFFAOYSA-N
XLogP6.59
TPSA113.16 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.17
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-(5-bromoquinolin-8-yl)oxy-5-nitro-N-(1-phenylethyl)pyrimidin-4-amine
CID 22528291
N-[4-[[6-(5-bromoquinolin-8-yl)oxy-5-nitropyrimidin-4-yl]amino]phenyl]acetamide
CID 22537597
3-[[6-(5-bromoquinolin-8-yl)oxy-5-nitropyrimidin-4-yl]-(2-cyanoethyl)amino]propanenitrile
CID 23493549
6-(5-bromoquinolin-8-yl)oxy-N-(4-methylpiperazin-1-yl)-5-nitropyrimidin-4-amine
CID 22526415
6-(5-bromoquinolin-8-yl)oxy-N-(2,5-dimethylphenyl)-5-nitropyrimidin-4-amine
CID 23485772
8-(5-nitro-6-quinolin-8-yloxypyrimidin-4-yl)oxyquinoline
CID 23493774
6-(5-bromoquinolin-8-yl)oxy-N-[(4-fluorophenyl)methyl]-5-nitropyrimidin-4-amine
CID 22537609
5-bromo-8-[6-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]oxyquinoline
CID 23491101
N'-[6-(5-bromoquinolin-8-yl)oxy-5-nitropyrimidin-4-yl]-2-methylbenzohydrazide
CID 22535286
N'-[6-(5-bromoquinolin-8-yl)oxy-5-nitropyrimidin-4-yl]-3-nitrobenzohydrazide
CID 22536029
6-(5-bromoquinolin-8-yl)oxy-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-nitropyrimidin-4-amine
CID 22537591
N'-[6-(5-bromoquinolin-8-yl)oxy-5-nitropyrimidin-4-yl]-2-(2,4-dichlorophenoxy)acetohydrazide
CID 22537169

Frequently Asked Questions

What is the IUPAC name of 5-bromo-8-[6-(5-bromoquinolin-8-yl)oxy-5-nitropyrimidin-4-yl]oxyquinoline?
The IUPAC name of 5-bromo-8-[6-(5-bromoquinolin-8-yl)oxy-5-nitropyrimidin-4-yl]oxyquinoline (CID 22537587) is 5-bromo-8-[6-(5-bromoquinolin-8-yl)oxy-5-nitropyrimidin-4-yl]oxyquinoline.
What is the SMILES notation for 5-bromo-8-[6-(5-bromoquinolin-8-yl)oxy-5-nitropyrimidin-4-yl]oxyquinoline?
The canonical SMILES for 5-bromo-8-[6-(5-bromoquinolin-8-yl)oxy-5-nitropyrimidin-4-yl]oxyquinoline is O=[N+]([O-])c1c(Oc2ccc(Br)c3cccnc23)ncnc1Oc1ccc(Br)c2cccnc12.
What is the InChIKey of 5-bromo-8-[6-(5-bromoquinolin-8-yl)oxy-5-nitropyrimidin-4-yl]oxyquinoline?
The InChIKey is RTXSQDXRPIDHRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H11Br2N5O4/c23-14-5-7-16(18-12(14)3-1-9-25-18)32-21-20(29(30)31)22(28-11-27-21)33-17-8-6-15(24)13-4-2-10-26-19(13)17/h1-11H.
What are the key properties of 5-bromo-8-[6-(5-bromoquinolin-8-yl)oxy-5-nitropyrimidin-4-yl]oxyquinoline?
5-bromo-8-[6-(5-bromoquinolin-8-yl)oxy-5-nitropyrimidin-4-yl]oxyquinoline has a molecular weight of 569.17 g/mol, XLogP of 6.59, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-8-[6-(5-bromoquinolin-8-yl)oxy-5-nitropyrimidin-4-yl]oxyquinoline is sourced from PubChem (CID 22537587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).