2-methoxy-4,5-dimethyl-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzenesulfonamide

C23H30N2O4S — CID 16927648

IUPAC2-methoxy-4,5-dimethyl-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzenesulfonamide
SMILESCOc1cc(C)c(C)cc1S(=O)(=O)Nc1ccc2c(c1)CCC(=O)N2CCC(C)C
InChIInChI=1S/C23H30N2O4S/c1-15(2)10-11-25-20-8-7-19(14-18(20)6-9-23(25)26)24-30(27,28)22-13-17(4)16(3)12-21(22)29-5/h7-8,12-15,24H,6,9-11H2,1-5H3
InChIKeyFLRWWQZNLHCARP-UHFFFAOYSA-N
MW430.57 g/mol
LogP4.44
Rot. Bonds7

About 2-methoxy-4,5-dimethyl-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzenesulfonamide

2-methoxy-4,5-dimethyl-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzenesulfonamide (PubChem CID 16927648) has the molecular formula C23H30N2O4S and a molecular weight of 430.57 g/mol. Its IUPAC name is 2-methoxy-4,5-dimethyl-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-4,5-dimethyl-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzenesulfonamide
PubChem CID16927648
Molecular FormulaC23H30N2O4S
Molecular Weight430.57 g/mol
Exact Mass430.19
IUPAC Name2-methoxy-4,5-dimethyl-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzenesulfonamide
SMILESCOc1cc(C)c(C)cc1S(=O)(=O)Nc1ccc2c(c1)CCC(=O)N2CCC(C)C
InChIInChI=1S/C23H30N2O4S/c1-15(2)10-11-25-20-8-7-19(14-18(20)6-9-23(25)26)24-30(27,28)22-13-17(4)16(3)12-21(22)29-5/h7-8,12-15,24H,6,9-11H2,1-5H3
InChIKeyFLRWWQZNLHCARP-UHFFFAOYSA-N
XLogP4.44
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.57
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4,5-trimethyl-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzenesulfonamide
CID 16927637
N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]propane-2-sulfonamide
CID 16927653
5-chloro-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]thiophene-2-sulfonamide
CID 16927646
2,5-dimethoxy-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)benzenesulfonamide
CID 16828141
N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-8-yl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 40957581
5-chloro-2-methoxy-N-[1-(2-methoxyethyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzenesulfonamide
CID 30532854
3-chloro-4-fluoro-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzenesulfonamide
CID 16820986
2-methoxy-5-methyl-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)benzenesulfonamide
CID 16826959
N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-4-methoxy-3-methylbenzenesulfonamide
CID 20933581
N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]-2-phenylethanesulfonamide
CID 16927652
N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-4-methoxy-2-methylbenzenesulfonamide
CID 16826952
N-[1-(2-methoxyethyl)-2-oxo-3,4-dihydroquinolin-6-yl]-3,5-dimethylbenzenesulfonamide
CID 71842856

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4,5-dimethyl-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzenesulfonamide?
The IUPAC name of 2-methoxy-4,5-dimethyl-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzenesulfonamide (CID 16927648) is 2-methoxy-4,5-dimethyl-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzenesulfonamide.
What is the SMILES notation for 2-methoxy-4,5-dimethyl-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzenesulfonamide?
The canonical SMILES for 2-methoxy-4,5-dimethyl-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzenesulfonamide is COc1cc(C)c(C)cc1S(=O)(=O)Nc1ccc2c(c1)CCC(=O)N2CCC(C)C.
What is the InChIKey of 2-methoxy-4,5-dimethyl-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzenesulfonamide?
The InChIKey is FLRWWQZNLHCARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O4S/c1-15(2)10-11-25-20-8-7-19(14-18(20)6-9-23(25)26)24-30(27,28)22-13-17(4)16(3)12-21(22)29-5/h7-8,12-15,24H,6,9-11H2,1-5H3.
What are the key properties of 2-methoxy-4,5-dimethyl-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzenesulfonamide?
2-methoxy-4,5-dimethyl-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzenesulfonamide has a molecular weight of 430.57 g/mol, XLogP of 4.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4,5-dimethyl-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzenesulfonamide is sourced from PubChem (CID 16927648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).