8-[(2S)-butan-2-yl]oxyquinoline

C13H15NO — CID 99646584

IUPAC8-[(2S)-butan-2-yl]oxyquinoline
SMILESCC[C@H](C)Oc1cccc2cccnc12
InChIInChI=1S/C13H15NO/c1-3-10(2)15-12-8-4-6-11-7-5-9-14-13(11)12/h4-10H,3H2,1-2H3/t10-/m0/s1
InChIKeyBRAYOKOLMATWQO-JTQLQIEISA-N
MW201.27 g/mol
LogP3.41
Rot. Bonds3

About 8-[(2S)-butan-2-yl]oxyquinoline

8-[(2S)-butan-2-yl]oxyquinoline (PubChem CID 99646584) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 8-[(2S)-butan-2-yl]oxyquinoline.

Molecular Properties

Compound Name8-[(2S)-butan-2-yl]oxyquinoline
PubChem CID99646584
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name8-[(2S)-butan-2-yl]oxyquinoline
SMILESCC[C@H](C)Oc1cccc2cccnc12
InChIInChI=1S/C13H15NO/c1-3-10(2)15-12-8-4-6-11-7-5-9-14-13(11)12/h4-10H,3H2,1-2H3/t10-/m0/s1
InChIKeyBRAYOKOLMATWQO-JTQLQIEISA-N
XLogP3.41
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8-[(2R)-1-methoxypropan-2-yl]oxyquinoline
CID 141434542
N-(2-quinolin-8-yloxypropyl)pentan-1-amine
CID 62597847
8-(4-methylpent-1-yn-3-yloxy)quinoline
CID 87958681
2-quinolin-8-yloxypentan-3-one
CID 64868229
2-quinolin-8-yloxybutanamide
CID 62901439
3-butan-2-yloxy-2-chloropyridine
CID 65102026
N-(2-quinolin-8-yloxypropyl)cyclopentanamine
CID 62597334
N-(2-methoxyethyl)-2-quinolin-8-yloxypropan-1-amine
CID 62597332
2-amino-2-methyl-4-quinolin-8-yloxypentanamide
CID 64706156
N-[(E)-[2-[(2S)-butan-2-yl]oxyphenyl]methylideneamino]-2-quinolin-8-yloxyacetamide
CID 126024146
2-quinolin-8-yloxybutanehydrazide
CID 63575214
8-butan-2-yloxyquinoline-5-carbaldehyde
CID 133164872

Frequently Asked Questions

What is the IUPAC name of 8-[(2S)-butan-2-yl]oxyquinoline?
The IUPAC name of 8-[(2S)-butan-2-yl]oxyquinoline (CID 99646584) is 8-[(2S)-butan-2-yl]oxyquinoline.
What is the SMILES notation for 8-[(2S)-butan-2-yl]oxyquinoline?
The canonical SMILES for 8-[(2S)-butan-2-yl]oxyquinoline is CC[C@H](C)Oc1cccc2cccnc12.
What is the InChIKey of 8-[(2S)-butan-2-yl]oxyquinoline?
The InChIKey is BRAYOKOLMATWQO-JTQLQIEISA-N. The full InChI is InChI=1S/C13H15NO/c1-3-10(2)15-12-8-4-6-11-7-5-9-14-13(11)12/h4-10H,3H2,1-2H3/t10-/m0/s1.
What are the key properties of 8-[(2S)-butan-2-yl]oxyquinoline?
8-[(2S)-butan-2-yl]oxyquinoline has a molecular weight of 201.27 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2S)-butan-2-yl]oxyquinoline is sourced from PubChem (CID 99646584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).