3-bromo-5-(7-chloroquinolin-4-yl)oxyaniline

C15H10BrClN2O — CID 103589147

IUPAC3-bromo-5-(7-chloroquinolin-4-yl)oxyaniline
SMILESNc1cc(Br)cc(Oc2ccnc3cc(Cl)ccc23)c1
InChIInChI=1S/C15H10BrClN2O/c16-9-5-11(18)8-12(6-9)20-15-3-4-19-14-7-10(17)1-2-13(14)15/h1-8H,18H2
InChIKeyKPGLFNVRMWMZCU-UHFFFAOYSA-N
MW349.62 g/mol
LogP5.03
Rot. Bonds2

About 3-bromo-5-(7-chloroquinolin-4-yl)oxyaniline

3-bromo-5-(7-chloroquinolin-4-yl)oxyaniline (PubChem CID 103589147) has the molecular formula C15H10BrClN2O and a molecular weight of 349.62 g/mol. Its IUPAC name is 3-bromo-5-(7-chloroquinolin-4-yl)oxyaniline.

Molecular Properties

Compound Name3-bromo-5-(7-chloroquinolin-4-yl)oxyaniline
PubChem CID103589147
Molecular FormulaC15H10BrClN2O
Molecular Weight349.62 g/mol
Exact Mass347.97
IUPAC Name3-bromo-5-(7-chloroquinolin-4-yl)oxyaniline
SMILESNc1cc(Br)cc(Oc2ccnc3cc(Cl)ccc23)c1
InChIInChI=1S/C15H10BrClN2O/c16-9-5-11(18)8-12(6-9)20-15-3-4-19-14-7-10(17)1-2-13(14)15/h1-8H,18H2
InChIKeyKPGLFNVRMWMZCU-UHFFFAOYSA-N
XLogP5.03
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.62
LogP ≤ 55.03
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

7-chloro-4-phenoxyquinoline;hydrochloride
CID 86033185
7-chloro-4-(3-fluorophenoxy)quinoline
CID 19879037
4-(3,5-difluorophenoxy)quinolin-7-amine
CID 103002316
3-(7-chloroquinolin-4-yl)oxybenzoic acid
CID 61395609
5-(7-chloroquinolin-4-yl)oxypyridine-3-carboxylic acid
CID 63852058
4-[4-(7-chloroquinolin-4-yl)oxyphenyl]sulfonylmorpholine
CID 9311294
6-(7-chloroquinolin-4-yl)oxynaphthalene-1-carboxylic acid
CID 59590548
3-chloro-4-(7-methoxyquinolin-4-yl)oxyaniline
CID 90017152
3-bromo-5-pyrido[2,3-b]pyrazin-6-yloxyaniline
CID 103589174
4,7-dichloroquinoline
CID 6866
4-[(6-chloro-1,7-naphthyridin-4-yl)oxy]aniline
CID 156871767
(7-bromoquinolin-4-yl)oxythallium
CID 142517045

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(7-chloroquinolin-4-yl)oxyaniline?
The IUPAC name of 3-bromo-5-(7-chloroquinolin-4-yl)oxyaniline (CID 103589147) is 3-bromo-5-(7-chloroquinolin-4-yl)oxyaniline.
What is the SMILES notation for 3-bromo-5-(7-chloroquinolin-4-yl)oxyaniline?
The canonical SMILES for 3-bromo-5-(7-chloroquinolin-4-yl)oxyaniline is Nc1cc(Br)cc(Oc2ccnc3cc(Cl)ccc23)c1.
What is the InChIKey of 3-bromo-5-(7-chloroquinolin-4-yl)oxyaniline?
The InChIKey is KPGLFNVRMWMZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrClN2O/c16-9-5-11(18)8-12(6-9)20-15-3-4-19-14-7-10(17)1-2-13(14)15/h1-8H,18H2.
What are the key properties of 3-bromo-5-(7-chloroquinolin-4-yl)oxyaniline?
3-bromo-5-(7-chloroquinolin-4-yl)oxyaniline has a molecular weight of 349.62 g/mol, XLogP of 5.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(7-chloroquinolin-4-yl)oxyaniline is sourced from PubChem (CID 103589147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).