(2S)-2-(6-bromoquinolin-3-yl)oxypropan-1-ol

C12H12BrNO2 — CID 168916570

IUPAC(2S)-2-(6-bromoquinolin-3-yl)oxypropan-1-ol
SMILESC[C@@H](CO)Oc1cnc2ccc(Br)cc2c1
InChIInChI=1S/C12H12BrNO2/c1-8(7-15)16-11-5-9-4-10(13)2-3-12(9)14-6-11/h2-6,8,15H,7H2,1H3/t8-/m0/s1
InChIKeyXDIWNQHHFGLDBK-QMMMGPOBSA-N
MW282.14 g/mol
LogP2.76
Rot. Bonds3

About (2S)-2-(6-bromoquinolin-3-yl)oxypropan-1-ol

(2S)-2-(6-bromoquinolin-3-yl)oxypropan-1-ol (PubChem CID 168916570) has the molecular formula C12H12BrNO2 and a molecular weight of 282.14 g/mol. Its IUPAC name is (2S)-2-(6-bromoquinolin-3-yl)oxypropan-1-ol.

Molecular Properties

Compound Name(2S)-2-(6-bromoquinolin-3-yl)oxypropan-1-ol
PubChem CID168916570
Molecular FormulaC12H12BrNO2
Molecular Weight282.14 g/mol
Exact Mass281.01
IUPAC Name(2S)-2-(6-bromoquinolin-3-yl)oxypropan-1-ol
SMILESC[C@@H](CO)Oc1cnc2ccc(Br)cc2c1
InChIInChI=1S/C12H12BrNO2/c1-8(7-15)16-11-5-9-4-10(13)2-3-12(9)14-6-11/h2-6,8,15H,7H2,1H3/t8-/m0/s1
InChIKeyXDIWNQHHFGLDBK-QMMMGPOBSA-N
XLogP2.76
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.14
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-bromonaphthalen-2-yl)oxypropan-1-ol
CID 18367588
2-(6-bromoquinolin-3-yl)oxyacetic acid
CID 171649153
(6-bromoquinolin-3-yl) carbamate
CID 175521488
2-(6-bromoquinolin-3-yl)oxy-N-tert-butyl-2-methoxyacetamide
CID 67322358
2-[4-(4-bromophenoxy)phenoxy]propan-1-ol
CID 21408033
(3R)-3-quinolin-3-yloxybutanoic acid
CID 107386787
methyl (2E)-2-[(6-bromoquinolin-3-yl)methylidene]-3-methylbutanoate
CID 53466135
6-bromo-3-[2-(1-methylpyrazol-4-yl)ethoxy]quinoline
CID 136532737
(2S)-2-(5-bromo-2-fluorophenoxy)propan-1-ol
CID 163228830
N-propan-2-yl-2-quinolin-3-yloxypropan-1-amine
CID 107387828
1-(6-bromoquinolin-3-yl)-N,N-dimethylmethanamine
CID 67476121
3-[(5-bromo-3-pyridinyl)oxy]butan-1-ol
CID 174205406

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(6-bromoquinolin-3-yl)oxypropan-1-ol?
The IUPAC name of (2S)-2-(6-bromoquinolin-3-yl)oxypropan-1-ol (CID 168916570) is (2S)-2-(6-bromoquinolin-3-yl)oxypropan-1-ol.
What is the SMILES notation for (2S)-2-(6-bromoquinolin-3-yl)oxypropan-1-ol?
The canonical SMILES for (2S)-2-(6-bromoquinolin-3-yl)oxypropan-1-ol is C[C@@H](CO)Oc1cnc2ccc(Br)cc2c1.
What is the InChIKey of (2S)-2-(6-bromoquinolin-3-yl)oxypropan-1-ol?
The InChIKey is XDIWNQHHFGLDBK-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H12BrNO2/c1-8(7-15)16-11-5-9-4-10(13)2-3-12(9)14-6-11/h2-6,8,15H,7H2,1H3/t8-/m0/s1.
What are the key properties of (2S)-2-(6-bromoquinolin-3-yl)oxypropan-1-ol?
(2S)-2-(6-bromoquinolin-3-yl)oxypropan-1-ol has a molecular weight of 282.14 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(6-bromoquinolin-3-yl)oxypropan-1-ol is sourced from PubChem (CID 168916570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).