4-bromo-2-(2-methylquinolin-8-yl)oxyaniline

C16H13BrN2O — CID 65342646

IUPAC4-bromo-2-(2-methylquinolin-8-yl)oxyaniline
SMILESCc1ccc2cccc(Oc3cc(Br)ccc3N)c2n1
InChIInChI=1S/C16H13BrN2O/c1-10-5-6-11-3-2-4-14(16(11)19-10)20-15-9-12(17)7-8-13(15)18/h2-9H,18H2,1H3
InChIKeyQCRJRZHHBYDNAH-UHFFFAOYSA-N
MW329.20 g/mol
LogP4.68
Rot. Bonds2

About 4-bromo-2-(2-methylquinolin-8-yl)oxyaniline

4-bromo-2-(2-methylquinolin-8-yl)oxyaniline (PubChem CID 65342646) has the molecular formula C16H13BrN2O and a molecular weight of 329.20 g/mol. Its IUPAC name is 4-bromo-2-(2-methylquinolin-8-yl)oxyaniline.

Molecular Properties

Compound Name4-bromo-2-(2-methylquinolin-8-yl)oxyaniline
PubChem CID65342646
Molecular FormulaC16H13BrN2O
Molecular Weight329.20 g/mol
Exact Mass328.02
IUPAC Name4-bromo-2-(2-methylquinolin-8-yl)oxyaniline
SMILESCc1ccc2cccc(Oc3cc(Br)ccc3N)c2n1
InChIInChI=1S/C16H13BrN2O/c1-10-5-6-11-3-2-4-14(16(11)19-10)20-15-9-12(17)7-8-13(15)18/h2-9H,18H2,1H3
InChIKeyQCRJRZHHBYDNAH-UHFFFAOYSA-N
XLogP4.68
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.20
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-iodo-2-(2-methylquinolin-8-yl)oxyaniline
CID 66081361
2-fluoro-6-(2-methylquinolin-8-yl)oxyaniline
CID 60789943
[3-bromo-4-(2-methylquinolin-8-yl)oxyphenyl]methanamine
CID 82785114
2-methyl-5-(2-methylquinolin-8-yl)oxyquinolin-8-ol
CID 143770480
tris[(2-methylquinolin-8-yl)oxy]gallane
CID 59002282
4-N-(4-bromophenyl)-6-(2-methylquinolin-8-yl)oxypyrimidine-4,5-diamine
CID 19141939
2-bromo-5-(2-methylquinolin-8-yl)oxy-1,3,4-thiadiazole
CID 64623654
3-bromo-2-[(2-methylquinolin-8-yl)oxymethyl]aniline
CID 43352151
8-[(5-bromo-4-methyl-2-pyridinyl)oxy]-2-methylquinoline
CID 114870685
2-(2-methylquinolin-8-yl)oxypyrimidin-4-amine
CID 116797777
(2-methylquinolin-8-yl) 5-bromo-2-ethoxybenzenesulfonate
CID 91669650
CID 20665518
CID 20665518

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(2-methylquinolin-8-yl)oxyaniline?
The IUPAC name of 4-bromo-2-(2-methylquinolin-8-yl)oxyaniline (CID 65342646) is 4-bromo-2-(2-methylquinolin-8-yl)oxyaniline.
What is the SMILES notation for 4-bromo-2-(2-methylquinolin-8-yl)oxyaniline?
The canonical SMILES for 4-bromo-2-(2-methylquinolin-8-yl)oxyaniline is Cc1ccc2cccc(Oc3cc(Br)ccc3N)c2n1.
What is the InChIKey of 4-bromo-2-(2-methylquinolin-8-yl)oxyaniline?
The InChIKey is QCRJRZHHBYDNAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O/c1-10-5-6-11-3-2-4-14(16(11)19-10)20-15-9-12(17)7-8-13(15)18/h2-9H,18H2,1H3.
What are the key properties of 4-bromo-2-(2-methylquinolin-8-yl)oxyaniline?
4-bromo-2-(2-methylquinolin-8-yl)oxyaniline has a molecular weight of 329.20 g/mol, XLogP of 4.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(2-methylquinolin-8-yl)oxyaniline is sourced from PubChem (CID 65342646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).