(6-bromo-1-ethyl-3,4-dihydro-2H-quinolin-8-yl)methanol

C12H16BrNO — CID 15053146

IUPAC(6-bromo-1-ethyl-3,4-dihydro-2H-quinolin-8-yl)methanol
SMILESCCN1CCCc2cc(Br)cc(CO)c21
InChIInChI=1S/C12H16BrNO/c1-2-14-5-3-4-9-6-11(13)7-10(8-15)12(9)14/h6-7,15H,2-5,8H2,1H3
InChIKeyPVAOTDBWUKBGLT-UHFFFAOYSA-N
MW270.17 g/mol
LogP2.71
Rot. Bonds2

About (6-bromo-1-ethyl-3,4-dihydro-2H-quinolin-8-yl)methanol

(6-bromo-1-ethyl-3,4-dihydro-2H-quinolin-8-yl)methanol (PubChem CID 15053146) has the molecular formula C12H16BrNO and a molecular weight of 270.17 g/mol. Its IUPAC name is (6-bromo-1-ethyl-3,4-dihydro-2H-quinolin-8-yl)methanol.

Molecular Properties

Compound Name(6-bromo-1-ethyl-3,4-dihydro-2H-quinolin-8-yl)methanol
PubChem CID15053146
Molecular FormulaC12H16BrNO
Molecular Weight270.17 g/mol
Exact Mass269.04
IUPAC Name(6-bromo-1-ethyl-3,4-dihydro-2H-quinolin-8-yl)methanol
SMILESCCN1CCCc2cc(Br)cc(CO)c21
InChIInChI=1S/C12H16BrNO/c1-2-14-5-3-4-9-6-11(13)7-10(8-15)12(9)14/h6-7,15H,2-5,8H2,1H3
InChIKeyPVAOTDBWUKBGLT-UHFFFAOYSA-N
XLogP2.71
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6-bromo-1-ethyl-3,4-dihydro-2H-quinolin-8-yl)methanol?
The IUPAC name of (6-bromo-1-ethyl-3,4-dihydro-2H-quinolin-8-yl)methanol (CID 15053146) is (6-bromo-1-ethyl-3,4-dihydro-2H-quinolin-8-yl)methanol.
What is the SMILES notation for (6-bromo-1-ethyl-3,4-dihydro-2H-quinolin-8-yl)methanol?
The canonical SMILES for (6-bromo-1-ethyl-3,4-dihydro-2H-quinolin-8-yl)methanol is CCN1CCCc2cc(Br)cc(CO)c21.
What is the InChIKey of (6-bromo-1-ethyl-3,4-dihydro-2H-quinolin-8-yl)methanol?
The InChIKey is PVAOTDBWUKBGLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO/c1-2-14-5-3-4-9-6-11(13)7-10(8-15)12(9)14/h6-7,15H,2-5,8H2,1H3.
What are the key properties of (6-bromo-1-ethyl-3,4-dihydro-2H-quinolin-8-yl)methanol?
(6-bromo-1-ethyl-3,4-dihydro-2H-quinolin-8-yl)methanol has a molecular weight of 270.17 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-1-ethyl-3,4-dihydro-2H-quinolin-8-yl)methanol is sourced from PubChem (CID 15053146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).