N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]butane-1-sulfonamide

C16H22N2O3S — CID 110325324

IUPACN-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCc1cc2cc(C)cc(C)c2[nH]c1=O
InChIInChI=1S/C16H22N2O3S/c1-4-5-6-22(20,21)17-10-14-9-13-8-11(2)7-12(3)15(13)18-16(14)19/h7-9,17H,4-6,10H2,1-3H3,(H,18,19)
InChIKeyAALICRAMDPQEOY-UHFFFAOYSA-N
MW322.43 g/mol
LogP2.36
Rot. Bonds6

About N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]butane-1-sulfonamide

N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]butane-1-sulfonamide (PubChem CID 110325324) has the molecular formula C16H22N2O3S and a molecular weight of 322.43 g/mol. Its IUPAC name is N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]butane-1-sulfonamide
PubChem CID110325324
Molecular FormulaC16H22N2O3S
Molecular Weight322.43 g/mol
Exact Mass322.14
IUPAC NameN-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCc1cc2cc(C)cc(C)c2[nH]c1=O
InChIInChI=1S/C16H22N2O3S/c1-4-5-6-22(20,21)17-10-14-9-13-8-11(2)7-12(3)15(13)18-16(14)19/h7-9,17H,4-6,10H2,1-3H3,(H,18,19)
InChIKeyAALICRAMDPQEOY-UHFFFAOYSA-N
XLogP2.36
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]butane-1-sulfonamide?
The IUPAC name of N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]butane-1-sulfonamide (CID 110325324) is N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]butane-1-sulfonamide.
What is the SMILES notation for N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]butane-1-sulfonamide?
The canonical SMILES for N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]butane-1-sulfonamide is CCCCS(=O)(=O)NCc1cc2cc(C)cc(C)c2[nH]c1=O.
What is the InChIKey of N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]butane-1-sulfonamide?
The InChIKey is AALICRAMDPQEOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3S/c1-4-5-6-22(20,21)17-10-14-9-13-8-11(2)7-12(3)15(13)18-16(14)19/h7-9,17H,4-6,10H2,1-3H3,(H,18,19).
What are the key properties of N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]butane-1-sulfonamide?
N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]butane-1-sulfonamide has a molecular weight of 322.43 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]butane-1-sulfonamide is sourced from PubChem (CID 110325324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).