1-butylsulfonyl-4-methyl-2,3-dihydroquinolin-4-ol

C14H21NO3S — CID 110709649

IUPAC1-butylsulfonyl-4-methyl-2,3-dihydroquinolin-4-ol
SMILESCCCCS(=O)(=O)N1CCC(C)(O)c2ccccc21
InChIInChI=1S/C14H21NO3S/c1-3-4-11-19(17,18)15-10-9-14(2,16)12-7-5-6-8-13(12)15/h5-8,16H,3-4,9-11H2,1-2H3
InChIKeyPBASHANBANYONH-UHFFFAOYSA-N
MW283.39 g/mol
LogP2.23
Rot. Bonds4

About 1-butylsulfonyl-4-methyl-2,3-dihydroquinolin-4-ol

1-butylsulfonyl-4-methyl-2,3-dihydroquinolin-4-ol (PubChem CID 110709649) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is 1-butylsulfonyl-4-methyl-2,3-dihydroquinolin-4-ol.

Molecular Properties

Compound Name1-butylsulfonyl-4-methyl-2,3-dihydroquinolin-4-ol
PubChem CID110709649
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC Name1-butylsulfonyl-4-methyl-2,3-dihydroquinolin-4-ol
SMILESCCCCS(=O)(=O)N1CCC(C)(O)c2ccccc21
InChIInChI=1S/C14H21NO3S/c1-3-4-11-19(17,18)15-10-9-14(2,16)12-7-5-6-8-13(12)15/h5-8,16H,3-4,9-11H2,1-2H3
InChIKeyPBASHANBANYONH-UHFFFAOYSA-N
XLogP2.23
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-butylsulfonyl-4-methyl-2,3-dihydroquinolin-4-ol?
The IUPAC name of 1-butylsulfonyl-4-methyl-2,3-dihydroquinolin-4-ol (CID 110709649) is 1-butylsulfonyl-4-methyl-2,3-dihydroquinolin-4-ol.
What is the SMILES notation for 1-butylsulfonyl-4-methyl-2,3-dihydroquinolin-4-ol?
The canonical SMILES for 1-butylsulfonyl-4-methyl-2,3-dihydroquinolin-4-ol is CCCCS(=O)(=O)N1CCC(C)(O)c2ccccc21.
What is the InChIKey of 1-butylsulfonyl-4-methyl-2,3-dihydroquinolin-4-ol?
The InChIKey is PBASHANBANYONH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-3-4-11-19(17,18)15-10-9-14(2,16)12-7-5-6-8-13(12)15/h5-8,16H,3-4,9-11H2,1-2H3.
What are the key properties of 1-butylsulfonyl-4-methyl-2,3-dihydroquinolin-4-ol?
1-butylsulfonyl-4-methyl-2,3-dihydroquinolin-4-ol has a molecular weight of 283.39 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylsulfonyl-4-methyl-2,3-dihydroquinolin-4-ol is sourced from PubChem (CID 110709649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).