3-bromo-8-(4-fluoro-2-methylphenoxy)quinolin-5-amine

C16H12BrFN2O — CID 106949902

IUPAC3-bromo-8-(4-fluoro-2-methylphenoxy)quinolin-5-amine
SMILESCc1cc(F)ccc1Oc1ccc(N)c2cc(Br)cnc12
InChIInChI=1S/C16H12BrFN2O/c1-9-6-11(18)2-4-14(9)21-15-5-3-13(19)12-7-10(17)8-20-16(12)15/h2-8H,19H2,1H3
InChIKeyKLQDCGOWGARNSA-UHFFFAOYSA-N
MW347.19 g/mol
LogP4.82
Rot. Bonds2

About 3-bromo-8-(4-fluoro-2-methylphenoxy)quinolin-5-amine

3-bromo-8-(4-fluoro-2-methylphenoxy)quinolin-5-amine (PubChem CID 106949902) has the molecular formula C16H12BrFN2O and a molecular weight of 347.19 g/mol. Its IUPAC name is 3-bromo-8-(4-fluoro-2-methylphenoxy)quinolin-5-amine.

Molecular Properties

Compound Name3-bromo-8-(4-fluoro-2-methylphenoxy)quinolin-5-amine
PubChem CID106949902
Molecular FormulaC16H12BrFN2O
Molecular Weight347.19 g/mol
Exact Mass346.01
IUPAC Name3-bromo-8-(4-fluoro-2-methylphenoxy)quinolin-5-amine
SMILESCc1cc(F)ccc1Oc1ccc(N)c2cc(Br)cnc12
InChIInChI=1S/C16H12BrFN2O/c1-9-6-11(18)2-4-14(9)21-15-5-3-13(19)12-7-10(17)8-20-16(12)15/h2-8H,19H2,1H3
InChIKeyKLQDCGOWGARNSA-UHFFFAOYSA-N
XLogP4.82
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.19
LogP ≤ 54.82
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

3-bromo-8-(2-fluorophenoxy)quinolin-5-amine
CID 106949774
3-bromo-8-(2-methoxyphenoxy)quinolin-5-amine
CID 106949789
3-bromo-8-(2-chlorophenoxy)quinolin-5-amine
CID 106949776
5-bromo-3-(4-fluoro-2-methylphenoxy)pyridine-2-carboxylic acid
CID 114203062
3-bromo-8-N-(4-fluoro-2-iodophenyl)quinoline-5,8-diamine
CID 106949496
[4-(5-amino-3-bromoquinolin-8-yl)oxyphenyl]methanol
CID 106949853
3-bromo-8-[2-(dimethylamino)ethoxy]quinolin-5-amine
CID 106949847
2-(4-fluoro-2-methylphenoxy)-3-methylaniline
CID 68879061
5-bromo-2-(5-fluoro-2-methylphenoxy)aniline
CID 102980259
5-bromo-2-(2-chloro-4-fluorophenoxy)pyridin-3-amine
CID 61228304
3-bromo-8-[(2-bromophenyl)methoxy]quinolin-5-amine
CID 106949907
2-(4-fluoro-2-methylphenoxy)-4,5-dimethoxyaniline
CID 83008312

Frequently Asked Questions

What is the IUPAC name of 3-bromo-8-(4-fluoro-2-methylphenoxy)quinolin-5-amine?
The IUPAC name of 3-bromo-8-(4-fluoro-2-methylphenoxy)quinolin-5-amine (CID 106949902) is 3-bromo-8-(4-fluoro-2-methylphenoxy)quinolin-5-amine.
What is the SMILES notation for 3-bromo-8-(4-fluoro-2-methylphenoxy)quinolin-5-amine?
The canonical SMILES for 3-bromo-8-(4-fluoro-2-methylphenoxy)quinolin-5-amine is Cc1cc(F)ccc1Oc1ccc(N)c2cc(Br)cnc12.
What is the InChIKey of 3-bromo-8-(4-fluoro-2-methylphenoxy)quinolin-5-amine?
The InChIKey is KLQDCGOWGARNSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrFN2O/c1-9-6-11(18)2-4-14(9)21-15-5-3-13(19)12-7-10(17)8-20-16(12)15/h2-8H,19H2,1H3.
What are the key properties of 3-bromo-8-(4-fluoro-2-methylphenoxy)quinolin-5-amine?
3-bromo-8-(4-fluoro-2-methylphenoxy)quinolin-5-amine has a molecular weight of 347.19 g/mol, XLogP of 4.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-8-(4-fluoro-2-methylphenoxy)quinolin-5-amine is sourced from PubChem (CID 106949902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).