N-[(1-methyl-2-oxoquinolin-3-yl)methyl]-N-(5-methyl-1-propylpyrazol-3-yl)methanesulfonamide

C19H24N4O3S — CID 164696487

IUPACN-[(1-methyl-2-oxoquinolin-3-yl)methyl]-N-(5-methyl-1-propylpyrazol-3-yl)methanesulfonamide
SMILESCCCn1nc(N(Cc2cc3ccccc3n(C)c2=O)S(C)(=O)=O)cc1C
InChIInChI=1S/C19H24N4O3S/c1-5-10-22-14(2)11-18(20-22)23(27(4,25)26)13-16-12-15-8-6-7-9-17(15)21(3)19(16)24/h6-9,11-12H,5,10,13H2,1-4H3
InChIKeyCLDOOVMORYPCPU-UHFFFAOYSA-N
MW388.49 g/mol
LogP2.42
Rot. Bonds6

About N-[(1-methyl-2-oxoquinolin-3-yl)methyl]-N-(5-methyl-1-propylpyrazol-3-yl)methanesulfonamide

N-[(1-methyl-2-oxoquinolin-3-yl)methyl]-N-(5-methyl-1-propylpyrazol-3-yl)methanesulfonamide (PubChem CID 164696487) has the molecular formula C19H24N4O3S and a molecular weight of 388.49 g/mol. Its IUPAC name is N-[(1-methyl-2-oxoquinolin-3-yl)methyl]-N-(5-methyl-1-propylpyrazol-3-yl)methanesulfonamide.

Molecular Properties

Compound NameN-[(1-methyl-2-oxoquinolin-3-yl)methyl]-N-(5-methyl-1-propylpyrazol-3-yl)methanesulfonamide
PubChem CID164696487
Molecular FormulaC19H24N4O3S
Molecular Weight388.49 g/mol
Exact Mass388.16
IUPAC NameN-[(1-methyl-2-oxoquinolin-3-yl)methyl]-N-(5-methyl-1-propylpyrazol-3-yl)methanesulfonamide
SMILESCCCn1nc(N(Cc2cc3ccccc3n(C)c2=O)S(C)(=O)=O)cc1C
InChIInChI=1S/C19H24N4O3S/c1-5-10-22-14(2)11-18(20-22)23(27(4,25)26)13-16-12-15-8-6-7-9-17(15)21(3)19(16)24/h6-9,11-12H,5,10,13H2,1-4H3
InChIKeyCLDOOVMORYPCPU-UHFFFAOYSA-N
XLogP2.42
TPSA77.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-2-oxoquinolin-3-yl)methyl]-N-(5-methyl-1-propylpyrazol-3-yl)methanesulfonamide?
The IUPAC name of N-[(1-methyl-2-oxoquinolin-3-yl)methyl]-N-(5-methyl-1-propylpyrazol-3-yl)methanesulfonamide (CID 164696487) is N-[(1-methyl-2-oxoquinolin-3-yl)methyl]-N-(5-methyl-1-propylpyrazol-3-yl)methanesulfonamide.
What is the SMILES notation for N-[(1-methyl-2-oxoquinolin-3-yl)methyl]-N-(5-methyl-1-propylpyrazol-3-yl)methanesulfonamide?
The canonical SMILES for N-[(1-methyl-2-oxoquinolin-3-yl)methyl]-N-(5-methyl-1-propylpyrazol-3-yl)methanesulfonamide is CCCn1nc(N(Cc2cc3ccccc3n(C)c2=O)S(C)(=O)=O)cc1C.
What is the InChIKey of N-[(1-methyl-2-oxoquinolin-3-yl)methyl]-N-(5-methyl-1-propylpyrazol-3-yl)methanesulfonamide?
The InChIKey is CLDOOVMORYPCPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3S/c1-5-10-22-14(2)11-18(20-22)23(27(4,25)26)13-16-12-15-8-6-7-9-17(15)21(3)19(16)24/h6-9,11-12H,5,10,13H2,1-4H3.
What are the key properties of N-[(1-methyl-2-oxoquinolin-3-yl)methyl]-N-(5-methyl-1-propylpyrazol-3-yl)methanesulfonamide?
N-[(1-methyl-2-oxoquinolin-3-yl)methyl]-N-(5-methyl-1-propylpyrazol-3-yl)methanesulfonamide has a molecular weight of 388.49 g/mol, XLogP of 2.42, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-2-oxoquinolin-3-yl)methyl]-N-(5-methyl-1-propylpyrazol-3-yl)methanesulfonamide is sourced from PubChem (CID 164696487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).