6-propan-2-ylquinoline;sulfur dioxide

C12H13NO2S — CID 162251791

IUPAC6-propan-2-ylquinoline;sulfur dioxide
SMILESCC(C)c1ccc2ncccc2c1.O=S=O
InChIInChI=1S/C12H13N.O2S/c1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-3-2/h3-9H,1-2H3;
InChIKeyZYBWNGIUHDKUIS-UHFFFAOYSA-N
MW235.31 g/mol
LogP2.69
Rot. Bonds1

About 6-propan-2-ylquinoline;sulfur dioxide

6-propan-2-ylquinoline;sulfur dioxide (PubChem CID 162251791) has the molecular formula C12H13NO2S and a molecular weight of 235.31 g/mol. Its IUPAC name is 6-propan-2-ylquinoline;sulfur dioxide.

Molecular Properties

Compound Name6-propan-2-ylquinoline;sulfur dioxide
PubChem CID162251791
Molecular FormulaC12H13NO2S
Molecular Weight235.31 g/mol
Exact Mass235.07
IUPAC Name6-propan-2-ylquinoline;sulfur dioxide
SMILESCC(C)c1ccc2ncccc2c1.O=S=O
InChIInChI=1S/C12H13N.O2S/c1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-3-2/h3-9H,1-2H3;
InChIKeyZYBWNGIUHDKUIS-UHFFFAOYSA-N
XLogP2.69
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-(3-quinolin-6-ylbutan-2-yl)quinoline
CID 20658775
2-propan-2-ylquinoline;6-propan-2-ylquinoline
CID 67193731
6-(1-nitrosoethyl)quinoline
CID 54028651
3-methyl-2-quinolin-6-ylbutanoic acid
CID 81224451
2-quinolin-6-ylpropan-1-amine
CID 79002101
2,2-difluoro-1-quinolin-6-ylethanamine
CID 80604993
7-propan-2-yl-2-(2-quinolin-6-ylpropyl)quinoxaline
CID 155582284
2-[hydroxy(quinolin-6-yl)methyl]-3-methylbutanoic acid
CID 63973005
ethyl (2R)-2-quinolin-6-ylpropanoate
CID 86328869
ethane;6-ethylquinoline;propane;7-propan-2-ylisoquinoline
CID 164904898
methyl 4-hydroxy-2-methyl-4-quinolin-6-ylbutanoate
CID 63969521
N-tert-butyl-2-methyl-3-quinolin-6-ylbutan-1-amine
CID 81223538

Frequently Asked Questions

What is the IUPAC name of 6-propan-2-ylquinoline;sulfur dioxide?
The IUPAC name of 6-propan-2-ylquinoline;sulfur dioxide (CID 162251791) is 6-propan-2-ylquinoline;sulfur dioxide.
What is the SMILES notation for 6-propan-2-ylquinoline;sulfur dioxide?
The canonical SMILES for 6-propan-2-ylquinoline;sulfur dioxide is CC(C)c1ccc2ncccc2c1.O=S=O.
What is the InChIKey of 6-propan-2-ylquinoline;sulfur dioxide?
The InChIKey is ZYBWNGIUHDKUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N.O2S/c1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-3-2/h3-9H,1-2H3;.
What are the key properties of 6-propan-2-ylquinoline;sulfur dioxide?
6-propan-2-ylquinoline;sulfur dioxide has a molecular weight of 235.31 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-ylquinoline;sulfur dioxide is sourced from PubChem (CID 162251791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).