(2-amino-5-bromophenyl)-quinolin-6-ylmethanol

C16H13BrN2O — CID 82704078

IUPAC(2-amino-5-bromophenyl)-quinolin-6-ylmethanol
SMILESNc1ccc(Br)cc1C(O)c1ccc2ncccc2c1
InChIInChI=1S/C16H13BrN2O/c17-12-4-5-14(18)13(9-12)16(20)11-3-6-15-10(8-11)2-1-7-19-15/h1-9,16,20H,18H2
InChIKeyGMXLMAUWRNVSCA-UHFFFAOYSA-N
MW329.20 g/mol
LogP3.66
Rot. Bonds2

About (2-amino-5-bromophenyl)-quinolin-6-ylmethanol

(2-amino-5-bromophenyl)-quinolin-6-ylmethanol (PubChem CID 82704078) has the molecular formula C16H13BrN2O and a molecular weight of 329.20 g/mol. Its IUPAC name is (2-amino-5-bromophenyl)-quinolin-6-ylmethanol.

Molecular Properties

Compound Name(2-amino-5-bromophenyl)-quinolin-6-ylmethanol
PubChem CID82704078
Molecular FormulaC16H13BrN2O
Molecular Weight329.20 g/mol
Exact Mass328.02
IUPAC Name(2-amino-5-bromophenyl)-quinolin-6-ylmethanol
SMILESNc1ccc(Br)cc1C(O)c1ccc2ncccc2c1
InChIInChI=1S/C16H13BrN2O/c17-12-4-5-14(18)13(9-12)16(20)11-3-6-15-10(8-11)2-1-7-19-15/h1-9,16,20H,18H2
InChIKeyGMXLMAUWRNVSCA-UHFFFAOYSA-N
XLogP3.66
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.20
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-amino-5-bromophenyl)-naphthalen-2-ylmethanol
CID 82703708
(2-amino-5-bromophenyl)-quinolin-8-ylmethanol
CID 82704162
(3-aminophenyl)-quinolin-6-ylmethanol
CID 106695803
(5-bromo-2-fluorophenyl)-quinolin-7-ylmethanol
CID 81215821
(5-bromo-2-methylphenyl)-quinolin-7-ylmethanol
CID 115827006
(3-bromo-4-fluorophenyl)-quinolin-6-ylmethanol
CID 81216485
bis(6-bromoquinoline);hydrate
CID 174834691
pyridin-4-yl(quinolin-6-yl)methanol
CID 81215658
(2-chloro-3-fluorophenyl)-quinolin-6-ylmethanol
CID 115826770
pyrazin-2-yl(quinolin-6-yl)methanol
CID 63969432
(2,3-difluoro-4-methylphenyl)-quinolin-6-ylmethanol
CID 107512228
(2-chloro-4-fluorophenyl)-quinolin-6-ylmethanol
CID 81220584

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-bromophenyl)-quinolin-6-ylmethanol?
The IUPAC name of (2-amino-5-bromophenyl)-quinolin-6-ylmethanol (CID 82704078) is (2-amino-5-bromophenyl)-quinolin-6-ylmethanol.
What is the SMILES notation for (2-amino-5-bromophenyl)-quinolin-6-ylmethanol?
The canonical SMILES for (2-amino-5-bromophenyl)-quinolin-6-ylmethanol is Nc1ccc(Br)cc1C(O)c1ccc2ncccc2c1.
What is the InChIKey of (2-amino-5-bromophenyl)-quinolin-6-ylmethanol?
The InChIKey is GMXLMAUWRNVSCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O/c17-12-4-5-14(18)13(9-12)16(20)11-3-6-15-10(8-11)2-1-7-19-15/h1-9,16,20H,18H2.
What are the key properties of (2-amino-5-bromophenyl)-quinolin-6-ylmethanol?
(2-amino-5-bromophenyl)-quinolin-6-ylmethanol has a molecular weight of 329.20 g/mol, XLogP of 3.66, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-bromophenyl)-quinolin-6-ylmethanol is sourced from PubChem (CID 82704078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).