[4-(5-amino-3-bromoquinolin-8-yl)oxyphenyl]methanol

C16H13BrN2O2 — CID 106949853

IUPAC[4-(5-amino-3-bromoquinolin-8-yl)oxyphenyl]methanol
SMILESNc1ccc(Oc2ccc(CO)cc2)c2ncc(Br)cc12
InChIInChI=1S/C16H13BrN2O2/c17-11-7-13-14(18)5-6-15(16(13)19-8-11)21-12-3-1-10(9-20)2-4-12/h1-8,20H,9,18H2
InChIKeyDSSMZWSZWXXTHS-UHFFFAOYSA-N
MW345.20 g/mol
LogP3.86
Rot. Bonds3

About [4-(5-amino-3-bromoquinolin-8-yl)oxyphenyl]methanol

[4-(5-amino-3-bromoquinolin-8-yl)oxyphenyl]methanol (PubChem CID 106949853) has the molecular formula C16H13BrN2O2 and a molecular weight of 345.20 g/mol. Its IUPAC name is [4-(5-amino-3-bromoquinolin-8-yl)oxyphenyl]methanol.

Molecular Properties

Compound Name[4-(5-amino-3-bromoquinolin-8-yl)oxyphenyl]methanol
PubChem CID106949853
Molecular FormulaC16H13BrN2O2
Molecular Weight345.20 g/mol
Exact Mass344.02
IUPAC Name[4-(5-amino-3-bromoquinolin-8-yl)oxyphenyl]methanol
SMILESNc1ccc(Oc2ccc(CO)cc2)c2ncc(Br)cc12
InChIInChI=1S/C16H13BrN2O2/c17-11-7-13-14(18)5-6-15(16(13)19-8-11)21-12-3-1-10(9-20)2-4-12/h1-8,20H,9,18H2
InChIKeyDSSMZWSZWXXTHS-UHFFFAOYSA-N
XLogP3.86
TPSA68.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.20
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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
[4-(5-aminoisoquinolin-8-yl)oxyphenyl]methanol
CID 103139931
3-bromo-8-(4-fluoro-2-methylphenoxy)quinolin-5-amine
CID 106949902
3-bromo-8-[2-(dimethylamino)ethoxy]quinolin-5-amine
CID 106949847
[4-(2,4-dibromophenoxy)phenyl]methanol
CID 64720453
3-bromo-8-[(2-bromophenyl)methoxy]quinolin-5-amine
CID 106949907
[4-[(5-bromo-2-pyridinyl)oxy]phenyl]methanol
CID 61373994
3-bromo-8-(oxolan-3-yloxy)quinolin-5-amine
CID 106949868
5-bromo-2-[4-(hydroxymethyl)phenoxy]benzenecarbothioamide
CID 114892255
[4-(4-bromophenoxy)phenyl]methanol
CID 28946070
2-[(5-amino-3-bromoquinolin-8-yl)-(2-methoxyethyl)amino]ethanol
CID 106949605

Frequently Asked Questions

What is the IUPAC name of [4-(5-amino-3-bromoquinolin-8-yl)oxyphenyl]methanol?
The IUPAC name of [4-(5-amino-3-bromoquinolin-8-yl)oxyphenyl]methanol (CID 106949853) is [4-(5-amino-3-bromoquinolin-8-yl)oxyphenyl]methanol.
What is the SMILES notation for [4-(5-amino-3-bromoquinolin-8-yl)oxyphenyl]methanol?
The canonical SMILES for [4-(5-amino-3-bromoquinolin-8-yl)oxyphenyl]methanol is Nc1ccc(Oc2ccc(CO)cc2)c2ncc(Br)cc12.
What is the InChIKey of [4-(5-amino-3-bromoquinolin-8-yl)oxyphenyl]methanol?
The InChIKey is DSSMZWSZWXXTHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O2/c17-11-7-13-14(18)5-6-15(16(13)19-8-11)21-12-3-1-10(9-20)2-4-12/h1-8,20H,9,18H2.
What are the key properties of [4-(5-amino-3-bromoquinolin-8-yl)oxyphenyl]methanol?
[4-(5-amino-3-bromoquinolin-8-yl)oxyphenyl]methanol has a molecular weight of 345.20 g/mol, XLogP of 3.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-amino-3-bromoquinolin-8-yl)oxyphenyl]methanol is sourced from PubChem (CID 106949853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).