N-methyl-N-[4-[[(8-methylquinolin-4-yl)amino]methyl]phenyl]methanesulfonamide

C19H21N3O2S — CID 133388801

IUPACN-methyl-N-[4-[[(8-methylquinolin-4-yl)amino]methyl]phenyl]methanesulfonamide
SMILESCc1cccc2c(NCc3ccc(N(C)S(C)(=O)=O)cc3)ccnc12
InChIInChI=1S/C19H21N3O2S/c1-14-5-4-6-17-18(11-12-20-19(14)17)21-13-15-7-9-16(10-8-15)22(2)25(3,23)24/h4-12H,13H2,1-3H3,(H,20,21)
InChIKeyISMYSZISMQEZDM-UHFFFAOYSA-N
MW355.46 g/mol
LogP3.55
Rot. Bonds5

About N-methyl-N-[4-[[(8-methylquinolin-4-yl)amino]methyl]phenyl]methanesulfonamide

N-methyl-N-[4-[[(8-methylquinolin-4-yl)amino]methyl]phenyl]methanesulfonamide (PubChem CID 133388801) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is N-methyl-N-[4-[[(8-methylquinolin-4-yl)amino]methyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[4-[[(8-methylquinolin-4-yl)amino]methyl]phenyl]methanesulfonamide
PubChem CID133388801
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC NameN-methyl-N-[4-[[(8-methylquinolin-4-yl)amino]methyl]phenyl]methanesulfonamide
SMILESCc1cccc2c(NCc3ccc(N(C)S(C)(=O)=O)cc3)ccnc12
InChIInChI=1S/C19H21N3O2S/c1-14-5-4-6-17-18(11-12-20-19(14)17)21-13-15-7-9-16(10-8-15)22(2)25(3,23)24/h4-12H,13H2,1-3H3,(H,20,21)
InChIKeyISMYSZISMQEZDM-UHFFFAOYSA-N
XLogP3.55
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[4-[(thieno[3,2-b]pyridin-7-ylamino)methyl]phenyl]methanesulfonamide
CID 71871115
8-methyl-N-[2-(4-methylsulfonylphenyl)ethyl]quinolin-4-amine
CID 133394536
8-methyl-N-[[2-(methylsulfonylmethyl)phenyl]methyl]quinolin-4-amine
CID 133368699
N,N-diethyl-2-[(8-methylquinolin-4-yl)amino]ethanesulfonamide
CID 133388578
4-[[(8-methylquinolin-5-yl)amino]methyl]phenol
CID 43731510
N-[(1,5-dimethylpyrazol-4-yl)methyl]-8-methylquinolin-4-amine
CID 133405681
8-methyl-N-[2-(4-methylsulfonylphenoxy)ethyl]quinolin-4-amine
CID 133388547
N,N-dimethyl-3-[2-[(8-methylquinolin-4-yl)amino]ethyl]benzamide
CID 133394459
8-methyl-N-[2-(6-methyl-3-pyridinyl)ethyl]quinolin-4-amine
CID 133388769
8-methoxy-N-[(4-methylphenyl)methyl]quinolin-4-amine
CID 178086355
2-[ethyl-[2-[(8-methylquinolin-4-yl)amino]ethyl]amino]ethanol
CID 133480173
2-[2-methoxy-5-[[(8-methylquinolin-4-yl)amino]methyl]phenoxy]butanenitrile
CID 133388932

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[4-[[(8-methylquinolin-4-yl)amino]methyl]phenyl]methanesulfonamide?
The IUPAC name of N-methyl-N-[4-[[(8-methylquinolin-4-yl)amino]methyl]phenyl]methanesulfonamide (CID 133388801) is N-methyl-N-[4-[[(8-methylquinolin-4-yl)amino]methyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-methyl-N-[4-[[(8-methylquinolin-4-yl)amino]methyl]phenyl]methanesulfonamide?
The canonical SMILES for N-methyl-N-[4-[[(8-methylquinolin-4-yl)amino]methyl]phenyl]methanesulfonamide is Cc1cccc2c(NCc3ccc(N(C)S(C)(=O)=O)cc3)ccnc12.
What is the InChIKey of N-methyl-N-[4-[[(8-methylquinolin-4-yl)amino]methyl]phenyl]methanesulfonamide?
The InChIKey is ISMYSZISMQEZDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-14-5-4-6-17-18(11-12-20-19(14)17)21-13-15-7-9-16(10-8-15)22(2)25(3,23)24/h4-12H,13H2,1-3H3,(H,20,21).
What are the key properties of N-methyl-N-[4-[[(8-methylquinolin-4-yl)amino]methyl]phenyl]methanesulfonamide?
N-methyl-N-[4-[[(8-methylquinolin-4-yl)amino]methyl]phenyl]methanesulfonamide has a molecular weight of 355.46 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[4-[[(8-methylquinolin-4-yl)amino]methyl]phenyl]methanesulfonamide is sourced from PubChem (CID 133388801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).