4-(2-bromophenoxy)-3-nitroquinoline

C15H9BrN2O3 — CID 103963836

IUPAC4-(2-bromophenoxy)-3-nitroquinoline
SMILESO=[N+]([O-])c1cnc2ccccc2c1Oc1ccccc1Br
InChIInChI=1S/C15H9BrN2O3/c16-11-6-2-4-8-14(11)21-15-10-5-1-3-7-12(10)17-9-13(15)18(19)20/h1-9H
InChIKeyNWUOBESBYVJRDV-UHFFFAOYSA-N
MW345.15 g/mol
LogP4.70
Rot. Bonds3

About 4-(2-bromophenoxy)-3-nitroquinoline

4-(2-bromophenoxy)-3-nitroquinoline (PubChem CID 103963836) has the molecular formula C15H9BrN2O3 and a molecular weight of 345.15 g/mol. Its IUPAC name is 4-(2-bromophenoxy)-3-nitroquinoline.

Molecular Properties

Compound Name4-(2-bromophenoxy)-3-nitroquinoline
PubChem CID103963836
Molecular FormulaC15H9BrN2O3
Molecular Weight345.15 g/mol
Exact Mass343.98
IUPAC Name4-(2-bromophenoxy)-3-nitroquinoline
SMILESO=[N+]([O-])c1cnc2ccccc2c1Oc1ccccc1Br
InChIInChI=1S/C15H9BrN2O3/c16-11-6-2-4-8-14(11)21-15-10-5-1-3-7-12(10)17-9-13(15)18(19)20/h1-9H
InChIKeyNWUOBESBYVJRDV-UHFFFAOYSA-N
XLogP4.70
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.15
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

4-(3-bromophenoxy)-3-nitroquinoline
CID 103963835
4-(3-nitroquinolin-4-yl)oxyaniline
CID 103964824
2-(2-bromophenoxy)-1-methyl-3-nitrobenzene
CID 113333873
3-nitro-4-(trifluoromethoxy)quinoline
CID 19034873
3-(3-nitroquinolin-4-yl)oxyaniline
CID 103964825
8-bromo-4-methyl-3-nitroquinoline
CID 131886009
4-chloro-3-nitroquinoline;ethane
CID 90799881
2-[(3-bromo-5-nitro-4-pyridinyl)oxy]aniline
CID 103519719
3-nitroquinoline-4-carboxamide
CID 19034747
6-(2-bromophenoxy)-5-nitropyridin-2-amine
CID 80859645
2-(2-bromophenoxy)-4-methyl-1-nitrobenzene
CID 75356396
3-bromo-2-(2-nitrophenoxy)pyridine
CID 61373940

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromophenoxy)-3-nitroquinoline?
The IUPAC name of 4-(2-bromophenoxy)-3-nitroquinoline (CID 103963836) is 4-(2-bromophenoxy)-3-nitroquinoline.
What is the SMILES notation for 4-(2-bromophenoxy)-3-nitroquinoline?
The canonical SMILES for 4-(2-bromophenoxy)-3-nitroquinoline is O=[N+]([O-])c1cnc2ccccc2c1Oc1ccccc1Br.
What is the InChIKey of 4-(2-bromophenoxy)-3-nitroquinoline?
The InChIKey is NWUOBESBYVJRDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrN2O3/c16-11-6-2-4-8-14(11)21-15-10-5-1-3-7-12(10)17-9-13(15)18(19)20/h1-9H.
What are the key properties of 4-(2-bromophenoxy)-3-nitroquinoline?
4-(2-bromophenoxy)-3-nitroquinoline has a molecular weight of 345.15 g/mol, XLogP of 4.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromophenoxy)-3-nitroquinoline is sourced from PubChem (CID 103963836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).