1-(6-bromoquinolin-2-yl)-3-methylbutan-1-ol

C14H16BrNO — CID 118279687

IUPAC1-(6-bromoquinolin-2-yl)-3-methylbutan-1-ol
SMILESCC(C)CC(O)c1ccc2cc(Br)ccc2n1
InChIInChI=1S/C14H16BrNO/c1-9(2)7-14(17)13-5-3-10-8-11(15)4-6-12(10)16-13/h3-6,8-9,14,17H,7H2,1-2H3
InChIKeyYXVWWPWQBHLZJS-UHFFFAOYSA-N
MW294.19 g/mol
LogP4.08
Rot. Bonds3

About 1-(6-bromoquinolin-2-yl)-3-methylbutan-1-ol

1-(6-bromoquinolin-2-yl)-3-methylbutan-1-ol (PubChem CID 118279687) has the molecular formula C14H16BrNO and a molecular weight of 294.19 g/mol. Its IUPAC name is 1-(6-bromoquinolin-2-yl)-3-methylbutan-1-ol.

Molecular Properties

Compound Name1-(6-bromoquinolin-2-yl)-3-methylbutan-1-ol
PubChem CID118279687
Molecular FormulaC14H16BrNO
Molecular Weight294.19 g/mol
Exact Mass293.04
IUPAC Name1-(6-bromoquinolin-2-yl)-3-methylbutan-1-ol
SMILESCC(C)CC(O)c1ccc2cc(Br)ccc2n1
InChIInChI=1S/C14H16BrNO/c1-9(2)7-14(17)13-5-3-10-8-11(15)4-6-12(10)16-13/h3-6,8-9,14,17H,7H2,1-2H3
InChIKeyYXVWWPWQBHLZJS-UHFFFAOYSA-N
XLogP4.08
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.19
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(6-bromoquinolin-2-yl)-3-methylbutyl]-2-methylpropane-2-sulfinamide
CID 118279654
1-(2,5-dibromophenyl)-3-methylbutan-1-ol
CID 61100587
methyl (3S)-3-amino-3-(6-bromoquinolin-2-yl)propanoate
CID 165347669
3-methyl-1-(6-methylpyridazin-3-yl)butan-1-ol
CID 130856881
6-bromo-2-(iodomethyl)quinoline
CID 89441334
6-bromo-2-(tribromomethyl)quinoline
CID 59321582
(R)-(7-bromoquinolin-2-yl)-phenylmethanol
CID 164671525
2-(6-bromoquinolin-2-yl)-1-(4-nitrophenyl)ethanol
CID 71476922
6-[(6-bromoquinolin-2-yl)amino]hexan-1-ol
CID 133434464
6-bromo-2-(2,2-dimethylpropoxy)quinoline
CID 177434912
1-[(3-amino-6-bromoquinolin-4-yl)amino]-4-methylpentan-2-ol
CID 107151123
1-(6-bromonaphthalen-2-yl)oxypropan-2-ol
CID 65278074

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromoquinolin-2-yl)-3-methylbutan-1-ol?
The IUPAC name of 1-(6-bromoquinolin-2-yl)-3-methylbutan-1-ol (CID 118279687) is 1-(6-bromoquinolin-2-yl)-3-methylbutan-1-ol.
What is the SMILES notation for 1-(6-bromoquinolin-2-yl)-3-methylbutan-1-ol?
The canonical SMILES for 1-(6-bromoquinolin-2-yl)-3-methylbutan-1-ol is CC(C)CC(O)c1ccc2cc(Br)ccc2n1.
What is the InChIKey of 1-(6-bromoquinolin-2-yl)-3-methylbutan-1-ol?
The InChIKey is YXVWWPWQBHLZJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO/c1-9(2)7-14(17)13-5-3-10-8-11(15)4-6-12(10)16-13/h3-6,8-9,14,17H,7H2,1-2H3.
What are the key properties of 1-(6-bromoquinolin-2-yl)-3-methylbutan-1-ol?
1-(6-bromoquinolin-2-yl)-3-methylbutan-1-ol has a molecular weight of 294.19 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromoquinolin-2-yl)-3-methylbutan-1-ol is sourced from PubChem (CID 118279687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).