1-(oxolan-3-ylsulfonyl)-3,4-dihydro-2H-quinoline-4-carboxylic acid

C14H17NO5S — CID 167838955

IUPAC1-(oxolan-3-ylsulfonyl)-3,4-dihydro-2H-quinoline-4-carboxylic acid
SMILESO=C(O)C1CCN(S(=O)(=O)C2CCOC2)c2ccccc21
InChIInChI=1S/C14H17NO5S/c16-14(17)12-5-7-15(13-4-2-1-3-11(12)13)21(18,19)10-6-8-20-9-10/h1-4,10,12H,5-9H2,(H,16,17)
InChIKeyNRSYBSQKQHEIIR-UHFFFAOYSA-N
MW311.36 g/mol
LogP1.18
Rot. Bonds3

About 1-(oxolan-3-ylsulfonyl)-3,4-dihydro-2H-quinoline-4-carboxylic acid

1-(oxolan-3-ylsulfonyl)-3,4-dihydro-2H-quinoline-4-carboxylic acid (PubChem CID 167838955) has the molecular formula C14H17NO5S and a molecular weight of 311.36 g/mol. Its IUPAC name is 1-(oxolan-3-ylsulfonyl)-3,4-dihydro-2H-quinoline-4-carboxylic acid.

Molecular Properties

Compound Name1-(oxolan-3-ylsulfonyl)-3,4-dihydro-2H-quinoline-4-carboxylic acid
PubChem CID167838955
Molecular FormulaC14H17NO5S
Molecular Weight311.36 g/mol
Exact Mass311.08
IUPAC Name1-(oxolan-3-ylsulfonyl)-3,4-dihydro-2H-quinoline-4-carboxylic acid
SMILESO=C(O)C1CCN(S(=O)(=O)C2CCOC2)c2ccccc21
InChIInChI=1S/C14H17NO5S/c16-14(17)12-5-7-15(13-4-2-1-3-11(12)13)21(18,19)10-6-8-20-9-10/h1-4,10,12H,5-9H2,(H,16,17)
InChIKeyNRSYBSQKQHEIIR-UHFFFAOYSA-N
XLogP1.18
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-3-ylsulfonyl)-3,4-dihydro-2H-quinoline-4-carboxylic acid?
The IUPAC name of 1-(oxolan-3-ylsulfonyl)-3,4-dihydro-2H-quinoline-4-carboxylic acid (CID 167838955) is 1-(oxolan-3-ylsulfonyl)-3,4-dihydro-2H-quinoline-4-carboxylic acid.
What is the SMILES notation for 1-(oxolan-3-ylsulfonyl)-3,4-dihydro-2H-quinoline-4-carboxylic acid?
The canonical SMILES for 1-(oxolan-3-ylsulfonyl)-3,4-dihydro-2H-quinoline-4-carboxylic acid is O=C(O)C1CCN(S(=O)(=O)C2CCOC2)c2ccccc21.
What is the InChIKey of 1-(oxolan-3-ylsulfonyl)-3,4-dihydro-2H-quinoline-4-carboxylic acid?
The InChIKey is NRSYBSQKQHEIIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO5S/c16-14(17)12-5-7-15(13-4-2-1-3-11(12)13)21(18,19)10-6-8-20-9-10/h1-4,10,12H,5-9H2,(H,16,17).
What are the key properties of 1-(oxolan-3-ylsulfonyl)-3,4-dihydro-2H-quinoline-4-carboxylic acid?
1-(oxolan-3-ylsulfonyl)-3,4-dihydro-2H-quinoline-4-carboxylic acid has a molecular weight of 311.36 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-3-ylsulfonyl)-3,4-dihydro-2H-quinoline-4-carboxylic acid is sourced from PubChem (CID 167838955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).