N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2,4-dimethylbenzenesulfonamide

C20H22N2O3S — CID 110325332

IUPACN-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2cc3cc(C)cc(C)c3[nH]c2=O)c(C)c1
InChIInChI=1S/C20H22N2O3S/c1-12-5-6-18(14(3)7-12)26(24,25)21-11-17-10-16-9-13(2)8-15(4)19(16)22-20(17)23/h5-10,21H,11H2,1-4H3,(H,22,23)
InChIKeyPPWNXKVYBLFXRP-UHFFFAOYSA-N
MW370.47 g/mol
LogP3.24
Rot. Bonds4

About N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2,4-dimethylbenzenesulfonamide

N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2,4-dimethylbenzenesulfonamide (PubChem CID 110325332) has the molecular formula C20H22N2O3S and a molecular weight of 370.47 g/mol. Its IUPAC name is N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2,4-dimethylbenzenesulfonamide
PubChem CID110325332
Molecular FormulaC20H22N2O3S
Molecular Weight370.47 g/mol
Exact Mass370.14
IUPAC NameN-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2cc3cc(C)cc(C)c3[nH]c2=O)c(C)c1
InChIInChI=1S/C20H22N2O3S/c1-12-5-6-18(14(3)7-12)26(24,25)21-11-17-10-16-9-13(2)8-15(4)19(16)22-20(17)23/h5-10,21H,11H2,1-4H3,(H,22,23)
InChIKeyPPWNXKVYBLFXRP-UHFFFAOYSA-N
XLogP3.24
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-fluorobenzenesulfonamide
CID 110325328
5-chloro-N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-sulfonamide
CID 110325345
N-[2-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-fluoro-2-methylbenzenesulfonamide
CID 110326320
N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]butane-1-sulfonamide
CID 110325324
2,4,6-trimethyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 110324455
4-methoxy-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-methylbenzenesulfonamide
CID 110324955
3-[(3-chloroanilino)methyl]-6,8-dimethyl-1H-quinolin-2-one
CID 25318868
N-[2-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-1-(3-methylphenyl)methanesulfonamide
CID 110326328
3-(aminomethyl)-6,8-dimethyl-1H-quinolin-2-one
CID 6487599
2,4-dimethoxy-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 110324463
3-[(2-methoxyanilino)methyl]-6,8-dimethyl-1H-quinolin-2-one
CID 864735
6,8-dimethyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-2-oxo-1H-quinoline-3-carboxamide
CID 110616698

Frequently Asked Questions

What is the IUPAC name of N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2,4-dimethylbenzenesulfonamide?
The IUPAC name of N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2,4-dimethylbenzenesulfonamide (CID 110325332) is N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCc2cc3cc(C)cc(C)c3[nH]c2=O)c(C)c1.
What is the InChIKey of N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2,4-dimethylbenzenesulfonamide?
The InChIKey is PPWNXKVYBLFXRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3S/c1-12-5-6-18(14(3)7-12)26(24,25)21-11-17-10-16-9-13(2)8-15(4)19(16)22-20(17)23/h5-10,21H,11H2,1-4H3,(H,22,23).
What are the key properties of N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2,4-dimethylbenzenesulfonamide?
N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2,4-dimethylbenzenesulfonamide has a molecular weight of 370.47 g/mol, XLogP of 3.24, 4 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]-2,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 110325332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).