N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propylmethanesulfonamide

C15H20N2O3S — CID 666351

IUPACN-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propylmethanesulfonamide
SMILESCCCN(Cc1cc2cc(C)ccc2[nH]c1=O)S(C)(=O)=O
InChIInChI=1S/C15H20N2O3S/c1-4-7-17(21(3,19)20)10-13-9-12-8-11(2)5-6-14(12)16-15(13)18/h5-6,8-9H,4,7,10H2,1-3H3,(H,16,18)
InChIKeyWFABCFUBCHMBEW-UHFFFAOYSA-N
MW308.40 g/mol
LogP2.01
Rot. Bonds5

About N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propylmethanesulfonamide

N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propylmethanesulfonamide (PubChem CID 666351) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propylmethanesulfonamide.

Molecular Properties

Compound NameN-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propylmethanesulfonamide
PubChem CID666351
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC NameN-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propylmethanesulfonamide
SMILESCCCN(Cc1cc2cc(C)ccc2[nH]c1=O)S(C)(=O)=O
InChIInChI=1S/C15H20N2O3S/c1-4-7-17(21(3,19)20)10-13-9-12-8-11(2)5-6-14(12)16-15(13)18/h5-6,8-9H,4,7,10H2,1-3H3,(H,16,18)
InChIKeyWFABCFUBCHMBEW-UHFFFAOYSA-N
XLogP2.01
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 4911896
N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methylpropyl)methanesulfonamide
CID 2992520
N-ethyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]methanesulfonamide
CID 3159257
4-methyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)benzenesulfonamide
CID 1168721
N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methylpropyl)benzenesulfonamide
CID 4903834
3-methyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propylbenzamide
CID 1391861
N-(2-hydroxyethyl)-4-methoxy-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 1168875
N-ethyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 947723
N-(2-hydroxyethyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide
CID 857219
3-(aminomethyl)-6-methyl-1H-quinolin-2-one
CID 6487618
2-fluoro-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[2-(2-methylphenyl)ethyl]benzenesulfonamide
CID 1161817
N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propan-2-ylbenzenesulfonamide
CID 4972680

Frequently Asked Questions

What is the IUPAC name of N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propylmethanesulfonamide?
The IUPAC name of N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propylmethanesulfonamide (CID 666351) is N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propylmethanesulfonamide.
What is the SMILES notation for N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propylmethanesulfonamide?
The canonical SMILES for N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propylmethanesulfonamide is CCCN(Cc1cc2cc(C)ccc2[nH]c1=O)S(C)(=O)=O.
What is the InChIKey of N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propylmethanesulfonamide?
The InChIKey is WFABCFUBCHMBEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-4-7-17(21(3,19)20)10-13-9-12-8-11(2)5-6-14(12)16-15(13)18/h5-6,8-9H,4,7,10H2,1-3H3,(H,16,18).
What are the key properties of N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propylmethanesulfonamide?
N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propylmethanesulfonamide has a molecular weight of 308.40 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propylmethanesulfonamide is sourced from PubChem (CID 666351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).