6-bromo-2-(2,2-dimethylpropoxy)quinoline

C14H16BrNO — CID 177434912

IUPAC6-bromo-2-(2,2-dimethylpropoxy)quinoline
SMILESCC(C)(C)COc1ccc2cc(Br)ccc2n1
InChIInChI=1S/C14H16BrNO/c1-14(2,3)9-17-13-7-4-10-8-11(15)5-6-12(10)16-13/h4-8H,9H2,1-3H3
InChIKeyNCYLQKXMUHIKKP-UHFFFAOYSA-N
MW294.19 g/mol
LogP4.42
Rot. Bonds2

About 6-bromo-2-(2,2-dimethylpropoxy)quinoline

6-bromo-2-(2,2-dimethylpropoxy)quinoline (PubChem CID 177434912) has the molecular formula C14H16BrNO and a molecular weight of 294.19 g/mol. Its IUPAC name is 6-bromo-2-(2,2-dimethylpropoxy)quinoline.

Molecular Properties

Compound Name6-bromo-2-(2,2-dimethylpropoxy)quinoline
PubChem CID177434912
Molecular FormulaC14H16BrNO
Molecular Weight294.19 g/mol
Exact Mass293.04
IUPAC Name6-bromo-2-(2,2-dimethylpropoxy)quinoline
SMILESCC(C)(C)COc1ccc2cc(Br)ccc2n1
InChIInChI=1S/C14H16BrNO/c1-14(2,3)9-17-13-7-4-10-8-11(15)5-6-12(10)16-13/h4-8H,9H2,1-3H3
InChIKeyNCYLQKXMUHIKKP-UHFFFAOYSA-N
XLogP4.42
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.19
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(6-bromoquinolin-2-yl)oxyacetaldehyde
CID 54381903
6-bromo-2-(4-phenylmethoxyphenoxy)quinoline
CID 141463365
6-bromo-2-(tribromomethyl)quinoline
CID 59321582
2-methyl-1-quinolin-2-yloxypropan-2-amine
CID 64537198
[2-(2,2,2-trifluoroethoxy)quinolin-6-yl]boronic acid
CID 140913382
6-bromo-3-methoxyisoquinoline
CID 67491807
6-bromo-2-(iodomethyl)quinoline
CID 89441334
(6-bromoquinolin-2-yl)hydrazine
CID 53403025
6-(8-bromooctoxy)-2-methoxyquinoline
CID 66960886
3-(6-bromonaphthalen-2-yl)oxy-N,2,2-trimethylpropan-1-amine
CID 79628620
2-bromo-5-(2,2-dimethylpropoxy)pyrazine
CID 155791923
6-bromo-2-dimethoxyphosphorylquinoline
CID 132501798

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(2,2-dimethylpropoxy)quinoline?
The IUPAC name of 6-bromo-2-(2,2-dimethylpropoxy)quinoline (CID 177434912) is 6-bromo-2-(2,2-dimethylpropoxy)quinoline.
What is the SMILES notation for 6-bromo-2-(2,2-dimethylpropoxy)quinoline?
The canonical SMILES for 6-bromo-2-(2,2-dimethylpropoxy)quinoline is CC(C)(C)COc1ccc2cc(Br)ccc2n1.
What is the InChIKey of 6-bromo-2-(2,2-dimethylpropoxy)quinoline?
The InChIKey is NCYLQKXMUHIKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO/c1-14(2,3)9-17-13-7-4-10-8-11(15)5-6-12(10)16-13/h4-8H,9H2,1-3H3.
What are the key properties of 6-bromo-2-(2,2-dimethylpropoxy)quinoline?
6-bromo-2-(2,2-dimethylpropoxy)quinoline has a molecular weight of 294.19 g/mol, XLogP of 4.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(2,2-dimethylpropoxy)quinoline is sourced from PubChem (CID 177434912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).