(2-amino-5-bromophenyl)-quinolin-8-ylmethanol

C16H13BrN2O — CID 82704162

IUPAC(2-amino-5-bromophenyl)-quinolin-8-ylmethanol
SMILESNc1ccc(Br)cc1C(O)c1cccc2cccnc12
InChIInChI=1S/C16H13BrN2O/c17-11-6-7-14(18)13(9-11)16(20)12-5-1-3-10-4-2-8-19-15(10)12/h1-9,16,20H,18H2
InChIKeyGGFMRTGTMBKSGR-UHFFFAOYSA-N
MW329.20 g/mol
LogP3.66
Rot. Bonds2

About (2-amino-5-bromophenyl)-quinolin-8-ylmethanol

(2-amino-5-bromophenyl)-quinolin-8-ylmethanol (PubChem CID 82704162) has the molecular formula C16H13BrN2O and a molecular weight of 329.20 g/mol. Its IUPAC name is (2-amino-5-bromophenyl)-quinolin-8-ylmethanol.

Molecular Properties

Compound Name(2-amino-5-bromophenyl)-quinolin-8-ylmethanol
PubChem CID82704162
Molecular FormulaC16H13BrN2O
Molecular Weight329.20 g/mol
Exact Mass328.02
IUPAC Name(2-amino-5-bromophenyl)-quinolin-8-ylmethanol
SMILESNc1ccc(Br)cc1C(O)c1cccc2cccnc12
InChIInChI=1S/C16H13BrN2O/c17-11-6-7-14(18)13(9-11)16(20)12-5-1-3-10-4-2-8-19-15(10)12/h1-9,16,20H,18H2
InChIKeyGGFMRTGTMBKSGR-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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Frequently Asked Questions

What is the IUPAC name of (2-amino-5-bromophenyl)-quinolin-8-ylmethanol?
The IUPAC name of (2-amino-5-bromophenyl)-quinolin-8-ylmethanol (CID 82704162) is (2-amino-5-bromophenyl)-quinolin-8-ylmethanol.
What is the SMILES notation for (2-amino-5-bromophenyl)-quinolin-8-ylmethanol?
The canonical SMILES for (2-amino-5-bromophenyl)-quinolin-8-ylmethanol is Nc1ccc(Br)cc1C(O)c1cccc2cccnc12.
What is the InChIKey of (2-amino-5-bromophenyl)-quinolin-8-ylmethanol?
The InChIKey is GGFMRTGTMBKSGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O/c17-11-6-7-14(18)13(9-11)16(20)12-5-1-3-10-4-2-8-19-15(10)12/h1-9,16,20H,18H2.
What are the key properties of (2-amino-5-bromophenyl)-quinolin-8-ylmethanol?
(2-amino-5-bromophenyl)-quinolin-8-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-8-ylmethanol is sourced from PubChem (CID 82704162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).