N-(2-methylpropyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]methanesulfonamide

C15H20N2O3S — CID 4903915

IUPACN-(2-methylpropyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]methanesulfonamide
SMILESCC(C)CN(Cc1cc2ccccc2[nH]c1=O)S(C)(=O)=O
InChIInChI=1S/C15H20N2O3S/c1-11(2)9-17(21(3,19)20)10-13-8-12-6-4-5-7-14(12)16-15(13)18/h4-8,11H,9-10H2,1-3H3,(H,16,18)
InChIKeyVJHSVRQLQIQLRH-UHFFFAOYSA-N
MW308.40 g/mol
LogP1.95
Rot. Bonds5

About N-(2-methylpropyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]methanesulfonamide

N-(2-methylpropyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]methanesulfonamide (PubChem CID 4903915) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is N-(2-methylpropyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]methanesulfonamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]methanesulfonamide
PubChem CID4903915
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC NameN-(2-methylpropyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]methanesulfonamide
SMILESCC(C)CN(Cc1cc2ccccc2[nH]c1=O)S(C)(=O)=O
InChIInChI=1S/C15H20N2O3S/c1-11(2)9-17(21(3,19)20)10-13-8-12-6-4-5-7-14(12)16-15(13)18/h4-8,11H,9-10H2,1-3H3,(H,16,18)
InChIKeyVJHSVRQLQIQLRH-UHFFFAOYSA-N
XLogP1.95
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 ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]methanesulfonamide
CID 3159257
N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methylpropyl)methanesulfonamide
CID 2992520
N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methylpropyl)benzenesulfonamide
CID 4903834
N-[(2-oxo-1H-quinolin-3-yl)methyl]-N-propan-2-ylacetamide
CID 945365
4-fluoro-N-(2-methylpropyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 4885893
N-methyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 935269
N-methyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 942796
N-benzyl-2-methyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]propanamide
CID 2038527
N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propylmethanesulfonamide
CID 666351
N-[(2-oxo-1H-quinolin-3-yl)methyl]-N-propan-2-ylpyridine-4-carboxamide
CID 1400292
3-[[N-(2-hydroxybutyl)anilino]methyl]-1H-quinolin-2-one
CID 111113326
N-[(2-oxo-1H-quinolin-3-yl)methyl]-2-phenoxy-N-propan-2-ylacetamide
CID 3341727

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]methanesulfonamide?
The IUPAC name of N-(2-methylpropyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]methanesulfonamide (CID 4903915) is N-(2-methylpropyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]methanesulfonamide.
What is the SMILES notation for N-(2-methylpropyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]methanesulfonamide?
The canonical SMILES for N-(2-methylpropyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]methanesulfonamide is CC(C)CN(Cc1cc2ccccc2[nH]c1=O)S(C)(=O)=O.
What is the InChIKey of N-(2-methylpropyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]methanesulfonamide?
The InChIKey is VJHSVRQLQIQLRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-11(2)9-17(21(3,19)20)10-13-8-12-6-4-5-7-14(12)16-15(13)18/h4-8,11H,9-10H2,1-3H3,(H,16,18).
What are the key properties of N-(2-methylpropyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]methanesulfonamide?
N-(2-methylpropyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]methanesulfonamide has a molecular weight of 308.40 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]methanesulfonamide is sourced from PubChem (CID 4903915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).