6-butylsulfonyl-4-methyl-1H-quinolin-2-one

C14H17NO3S — CID 50945018

IUPAC6-butylsulfonyl-4-methyl-1H-quinolin-2-one
SMILESCCCCS(=O)(=O)c1ccc2[nH]c(=O)cc(C)c2c1
InChIInChI=1S/C14H17NO3S/c1-3-4-7-19(17,18)11-5-6-13-12(9-11)10(2)8-14(16)15-13/h5-6,8-9H,3-4,7H2,1-2H3,(H,15,16)
InChIKeyCZNWXFDMWQKKON-UHFFFAOYSA-N
MW279.36 g/mol
LogP2.41
Rot. Bonds4

About 6-butylsulfonyl-4-methyl-1H-quinolin-2-one

6-butylsulfonyl-4-methyl-1H-quinolin-2-one (PubChem CID 50945018) has the molecular formula C14H17NO3S and a molecular weight of 279.36 g/mol. Its IUPAC name is 6-butylsulfonyl-4-methyl-1H-quinolin-2-one.

Molecular Properties

Compound Name6-butylsulfonyl-4-methyl-1H-quinolin-2-one
PubChem CID50945018
Molecular FormulaC14H17NO3S
Molecular Weight279.36 g/mol
Exact Mass279.09
IUPAC Name6-butylsulfonyl-4-methyl-1H-quinolin-2-one
SMILESCCCCS(=O)(=O)c1ccc2[nH]c(=O)cc(C)c2c1
InChIInChI=1S/C14H17NO3S/c1-3-4-7-19(17,18)11-5-6-13-12(9-11)10(2)8-14(16)15-13/h5-6,8-9H,3-4,7H2,1-2H3,(H,15,16)
InChIKeyCZNWXFDMWQKKON-UHFFFAOYSA-N
XLogP2.41
TPSA67.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-butylsulfonyl-4-methyl-1H-quinolin-2-one?
The IUPAC name of 6-butylsulfonyl-4-methyl-1H-quinolin-2-one (CID 50945018) is 6-butylsulfonyl-4-methyl-1H-quinolin-2-one.
What is the SMILES notation for 6-butylsulfonyl-4-methyl-1H-quinolin-2-one?
The canonical SMILES for 6-butylsulfonyl-4-methyl-1H-quinolin-2-one is CCCCS(=O)(=O)c1ccc2[nH]c(=O)cc(C)c2c1.
What is the InChIKey of 6-butylsulfonyl-4-methyl-1H-quinolin-2-one?
The InChIKey is CZNWXFDMWQKKON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3S/c1-3-4-7-19(17,18)11-5-6-13-12(9-11)10(2)8-14(16)15-13/h5-6,8-9H,3-4,7H2,1-2H3,(H,15,16).
What are the key properties of 6-butylsulfonyl-4-methyl-1H-quinolin-2-one?
6-butylsulfonyl-4-methyl-1H-quinolin-2-one has a molecular weight of 279.36 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butylsulfonyl-4-methyl-1H-quinolin-2-one is sourced from PubChem (CID 50945018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).