(3,5-dibromophenyl)-quinolin-5-ylmethanol

C16H11Br2NO — CID 107978579

IUPAC(3,5-dibromophenyl)-quinolin-5-ylmethanol
SMILESOC(c1cc(Br)cc(Br)c1)c1cccc2ncccc12
InChIInChI=1S/C16H11Br2NO/c17-11-7-10(8-12(18)9-11)16(20)14-3-1-5-15-13(14)4-2-6-19-15/h1-9,16,20H
InChIKeyXULIDMZVSZGOES-UHFFFAOYSA-N
MW393.08 g/mol
LogP4.84
Rot. Bonds2

About (3,5-dibromophenyl)-quinolin-5-ylmethanol

(3,5-dibromophenyl)-quinolin-5-ylmethanol (PubChem CID 107978579) has the molecular formula C16H11Br2NO and a molecular weight of 393.08 g/mol. Its IUPAC name is (3,5-dibromophenyl)-quinolin-5-ylmethanol.

Molecular Properties

Compound Name(3,5-dibromophenyl)-quinolin-5-ylmethanol
PubChem CID107978579
Molecular FormulaC16H11Br2NO
Molecular Weight393.08 g/mol
Exact Mass390.92
IUPAC Name(3,5-dibromophenyl)-quinolin-5-ylmethanol
SMILESOC(c1cc(Br)cc(Br)c1)c1cccc2ncccc12
InChIInChI=1S/C16H11Br2NO/c17-11-7-10(8-12(18)9-11)16(20)14-3-1-5-15-13(14)4-2-6-19-15/h1-9,16,20H
InChIKeyXULIDMZVSZGOES-UHFFFAOYSA-N
XLogP4.84
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.08
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-iodophenyl)-quinolin-5-ylmethanol
CID 115826358
(3-bromo-5-methylphenyl)-quinolin-5-ylmethanamine
CID 105020152
(1R)-1-quinolin-5-ylethanol
CID 86326294
(5-bromo-4-methylthiophen-2-yl)-quinolin-5-ylmethanol
CID 115826296
(3-bromo-2,6-difluorophenyl)-quinolin-5-ylmethanol
CID 106945108
(2,5-dimethylfuran-3-yl)-quinolin-5-ylmethanol
CID 115826245
(2-amino-3-pyridinyl)-(3-bromo-5-fluorophenyl)methanol
CID 66425226
(1R)-1-quinolin-5-ylethane-1,2-diamine
CID 66516625
1-quinolin-5-ylethane-1,2-diamine
CID 55275195
(3,5-dichloro-2-pyridinyl)-quinolin-5-ylmethanol
CID 81220374
quinolin-5-yl(1,3-thiazol-5-yl)methanol
CID 81220526
CID 158967293
CID 158967293

Frequently Asked Questions

What is the IUPAC name of (3,5-dibromophenyl)-quinolin-5-ylmethanol?
The IUPAC name of (3,5-dibromophenyl)-quinolin-5-ylmethanol (CID 107978579) is (3,5-dibromophenyl)-quinolin-5-ylmethanol.
What is the SMILES notation for (3,5-dibromophenyl)-quinolin-5-ylmethanol?
The canonical SMILES for (3,5-dibromophenyl)-quinolin-5-ylmethanol is OC(c1cc(Br)cc(Br)c1)c1cccc2ncccc12.
What is the InChIKey of (3,5-dibromophenyl)-quinolin-5-ylmethanol?
The InChIKey is XULIDMZVSZGOES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Br2NO/c17-11-7-10(8-12(18)9-11)16(20)14-3-1-5-15-13(14)4-2-6-19-15/h1-9,16,20H.
What are the key properties of (3,5-dibromophenyl)-quinolin-5-ylmethanol?
(3,5-dibromophenyl)-quinolin-5-ylmethanol has a molecular weight of 393.08 g/mol, XLogP of 4.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dibromophenyl)-quinolin-5-ylmethanol is sourced from PubChem (CID 107978579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).