[3-bromo-4-(5-chloroquinolin-8-yl)oxyphenyl]methanamine

C16H12BrClN2O — CID 82784965

IUPAC[3-bromo-4-(5-chloroquinolin-8-yl)oxyphenyl]methanamine
SMILESNCc1ccc(Oc2ccc(Cl)c3cccnc23)c(Br)c1
InChIInChI=1S/C16H12BrClN2O/c17-12-8-10(9-19)3-5-14(12)21-15-6-4-13(18)11-2-1-7-20-16(11)15/h1-8H,9,19H2
InChIKeyZBQYEXILHBBURF-UHFFFAOYSA-N
MW363.64 g/mol
LogP4.90
Rot. Bonds3

About [3-bromo-4-(5-chloroquinolin-8-yl)oxyphenyl]methanamine

[3-bromo-4-(5-chloroquinolin-8-yl)oxyphenyl]methanamine (PubChem CID 82784965) has the molecular formula C16H12BrClN2O and a molecular weight of 363.64 g/mol. Its IUPAC name is [3-bromo-4-(5-chloroquinolin-8-yl)oxyphenyl]methanamine.

Molecular Properties

Compound Name[3-bromo-4-(5-chloroquinolin-8-yl)oxyphenyl]methanamine
PubChem CID82784965
Molecular FormulaC16H12BrClN2O
Molecular Weight363.64 g/mol
Exact Mass361.98
IUPAC Name[3-bromo-4-(5-chloroquinolin-8-yl)oxyphenyl]methanamine
SMILESNCc1ccc(Oc2ccc(Cl)c3cccnc23)c(Br)c1
InChIInChI=1S/C16H12BrClN2O/c17-12-8-10(9-19)3-5-14(12)21-15-6-4-13(18)11-2-1-7-20-16(11)15/h1-8H,9,19H2
InChIKeyZBQYEXILHBBURF-UHFFFAOYSA-N
XLogP4.90
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.64
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(5-chloroquinolin-8-yl)oxy-5-fluorophenyl]methanamine
CID 43314287
[3-(5-chloroquinolin-8-yl)oxypyridazin-4-yl]methanamine
CID 80507747
[3-bromo-4-(2,3-dichlorophenoxy)phenyl]methanamine
CID 82798223
5-(5-chloroquinolin-8-yl)oxypentan-1-amine
CID 54965610
4-bromo-2-(5-chloroquinolin-8-yl)oxybenzonitrile
CID 114902377
5-chloro-8-[3-(chloromethyl)-5-fluorophenoxy]quinoline
CID 106530629
CID 12945983
CID 12945983
[5-[(5-chloroquinolin-8-yl)oxymethyl]thiophen-2-yl]methanamine
CID 107558658
5-bromo-4-(5-chloroquinolin-8-yl)oxy-N-methylpyrimidin-2-amine
CID 80866833
(3-bromo-4-phenoxyphenyl)methanamine
CID 82797010
[3-bromo-4-(2-methylquinolin-8-yl)oxyphenyl]methanamine
CID 82785114
[3-bromo-4-(2,4-dimethylphenoxy)phenyl]methanamine
CID 82797229

Frequently Asked Questions

What is the IUPAC name of [3-bromo-4-(5-chloroquinolin-8-yl)oxyphenyl]methanamine?
The IUPAC name of [3-bromo-4-(5-chloroquinolin-8-yl)oxyphenyl]methanamine (CID 82784965) is [3-bromo-4-(5-chloroquinolin-8-yl)oxyphenyl]methanamine.
What is the SMILES notation for [3-bromo-4-(5-chloroquinolin-8-yl)oxyphenyl]methanamine?
The canonical SMILES for [3-bromo-4-(5-chloroquinolin-8-yl)oxyphenyl]methanamine is NCc1ccc(Oc2ccc(Cl)c3cccnc23)c(Br)c1.
What is the InChIKey of [3-bromo-4-(5-chloroquinolin-8-yl)oxyphenyl]methanamine?
The InChIKey is ZBQYEXILHBBURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrClN2O/c17-12-8-10(9-19)3-5-14(12)21-15-6-4-13(18)11-2-1-7-20-16(11)15/h1-8H,9,19H2.
What are the key properties of [3-bromo-4-(5-chloroquinolin-8-yl)oxyphenyl]methanamine?
[3-bromo-4-(5-chloroquinolin-8-yl)oxyphenyl]methanamine has a molecular weight of 363.64 g/mol, XLogP of 4.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-bromo-4-(5-chloroquinolin-8-yl)oxyphenyl]methanamine is sourced from PubChem (CID 82784965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).