4-ethenyl-6-(oxolan-2-ylmethylsulfonyl)quinoline

C16H17NO3S — CID 118351993

IUPAC4-ethenyl-6-(oxolan-2-ylmethylsulfonyl)quinoline
SMILESC=Cc1ccnc2ccc(S(=O)(=O)CC3CCCO3)cc12
InChIInChI=1S/C16H17NO3S/c1-2-12-7-8-17-16-6-5-14(10-15(12)16)21(18,19)11-13-4-3-9-20-13/h2,5-8,10,13H,1,3-4,9,11H2
InChIKeyWWVAKWOFYPZBGV-UHFFFAOYSA-N
MW303.38 g/mol
LogP2.83
Rot. Bonds4

About 4-ethenyl-6-(oxolan-2-ylmethylsulfonyl)quinoline

4-ethenyl-6-(oxolan-2-ylmethylsulfonyl)quinoline (PubChem CID 118351993) has the molecular formula C16H17NO3S and a molecular weight of 303.38 g/mol. Its IUPAC name is 4-ethenyl-6-(oxolan-2-ylmethylsulfonyl)quinoline.

Molecular Properties

Compound Name4-ethenyl-6-(oxolan-2-ylmethylsulfonyl)quinoline
PubChem CID118351993
Molecular FormulaC16H17NO3S
Molecular Weight303.38 g/mol
Exact Mass303.09
IUPAC Name4-ethenyl-6-(oxolan-2-ylmethylsulfonyl)quinoline
SMILESC=Cc1ccnc2ccc(S(=O)(=O)CC3CCCO3)cc12
InChIInChI=1S/C16H17NO3S/c1-2-12-7-8-17-16-6-5-14(10-15(12)16)21(18,19)11-13-4-3-9-20-13/h2,5-8,10,13H,1,3-4,9,11H2
InChIKeyWWVAKWOFYPZBGV-UHFFFAOYSA-N
XLogP2.83
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(naphthalen-2-ylsulfonylmethyl)oxolane
CID 94149671
2-[(4-bromophenyl)sulfonylmethyl]oxolane
CID 15474559
2-[(3,4-dimethylphenyl)sulfonylmethyl]oxane
CID 71979163
2-[4-(oxolan-2-ylmethylsulfonyl)phenyl]acetic acid
CID 43440399
2-[(3-bromo-4-methylphenyl)sulfonylmethyl]oxane
CID 145425719
2-[4-(oxan-2-ylmethylsulfonyl)phenyl]acetic acid
CID 43592044
2-(oxolan-2-ylmethylsulfonyl)pyridin-3-amine
CID 61367073
(2S)-2-methyl-N-[4-[[(2R)-oxolan-2-yl]methylsulfonyl]phenyl]butanamide
CID 95175449
2-chloro-4-(oxolan-2-ylmethylsulfonylmethyl)pyridine
CID 122135921
2-(oxolan-2-ylmethylsulfonyl)-1,3-benzothiazol-6-amine
CID 55090459
2,2-difluoro-N-[4-(oxolan-2-ylmethylsulfonyl)phenyl]acetamide
CID 146090869
3-[[4-(oxolan-2-ylmethylsulfonyl)phenyl]carbamoylamino]propanoic acid
CID 122079855

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-6-(oxolan-2-ylmethylsulfonyl)quinoline?
The IUPAC name of 4-ethenyl-6-(oxolan-2-ylmethylsulfonyl)quinoline (CID 118351993) is 4-ethenyl-6-(oxolan-2-ylmethylsulfonyl)quinoline.
What is the SMILES notation for 4-ethenyl-6-(oxolan-2-ylmethylsulfonyl)quinoline?
The canonical SMILES for 4-ethenyl-6-(oxolan-2-ylmethylsulfonyl)quinoline is C=Cc1ccnc2ccc(S(=O)(=O)CC3CCCO3)cc12.
What is the InChIKey of 4-ethenyl-6-(oxolan-2-ylmethylsulfonyl)quinoline?
The InChIKey is WWVAKWOFYPZBGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3S/c1-2-12-7-8-17-16-6-5-14(10-15(12)16)21(18,19)11-13-4-3-9-20-13/h2,5-8,10,13H,1,3-4,9,11H2.
What are the key properties of 4-ethenyl-6-(oxolan-2-ylmethylsulfonyl)quinoline?
4-ethenyl-6-(oxolan-2-ylmethylsulfonyl)quinoline has a molecular weight of 303.38 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-6-(oxolan-2-ylmethylsulfonyl)quinoline is sourced from PubChem (CID 118351993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).