N,7-dimethyl-6-(4-methyloxan-4-yl)sulfonylquinolin-4-amine

C17H22N2O3S — CID 123481456

IUPACN,7-dimethyl-6-(4-methyloxan-4-yl)sulfonylquinolin-4-amine
SMILESCNc1ccnc2cc(C)c(S(=O)(=O)C3(C)CCOCC3)cc12
InChIInChI=1S/C17H22N2O3S/c1-12-10-15-13(14(18-3)4-7-19-15)11-16(12)23(20,21)17(2)5-8-22-9-6-17/h4,7,10-11H,5-6,8-9H2,1-3H3,(H,18,19)
InChIKeyAXMOFGSLFCLOCP-UHFFFAOYSA-N
MW334.44 g/mol
LogP2.93
Rot. Bonds3

About N,7-dimethyl-6-(4-methyloxan-4-yl)sulfonylquinolin-4-amine

N,7-dimethyl-6-(4-methyloxan-4-yl)sulfonylquinolin-4-amine (PubChem CID 123481456) has the molecular formula C17H22N2O3S and a molecular weight of 334.44 g/mol. Its IUPAC name is N,7-dimethyl-6-(4-methyloxan-4-yl)sulfonylquinolin-4-amine.

Molecular Properties

Compound NameN,7-dimethyl-6-(4-methyloxan-4-yl)sulfonylquinolin-4-amine
PubChem CID123481456
Molecular FormulaC17H22N2O3S
Molecular Weight334.44 g/mol
Exact Mass334.14
IUPAC NameN,7-dimethyl-6-(4-methyloxan-4-yl)sulfonylquinolin-4-amine
SMILESCNc1ccnc2cc(C)c(S(=O)(=O)C3(C)CCOCC3)cc12
InChIInChI=1S/C17H22N2O3S/c1-12-10-15-13(14(18-3)4-7-19-15)11-16(12)23(20,21)17(2)5-8-22-9-6-17/h4,7,10-11H,5-6,8-9H2,1-3H3,(H,18,19)
InChIKeyAXMOFGSLFCLOCP-UHFFFAOYSA-N
XLogP2.93
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,7-dimethyl-6-(oxan-4-ylsulfonyl)quinolin-4-amine;4,5-dimethyl-1H-pyrazole
CID 158057810
6,7-dimethoxy-N-methylquinolin-4-amine
CID 62190466
4-N,7-N,7-N-trimethylquinoline-4,7-diamine
CID 14579986
(6,7-dimethylquinolin-4-yl)hydrazine;hydrochloride
CID 17039963
6-chloro-N-methylquinolin-4-amine
CID 62192062
7-(furan-2-yl)-N-methylquinolin-4-amine
CID 70881123
6,7-diethoxy-N-methylquinolin-4-amine
CID 62192228
6-methyl-N-(3-morpholin-4-ylpropyl)quinolin-4-amine
CID 133466881
2,4-dimethyl-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide
CID 110875704
2-chloro-N-(4-methyloxan-4-yl)pyridine-4-sulfonamide
CID 113491040
6-butan-2-yl-N-methylquinolin-4-amine
CID 62190635
N-ethyl-6-morpholin-4-ylquinolin-4-amine
CID 63181063

Frequently Asked Questions

What is the IUPAC name of N,7-dimethyl-6-(4-methyloxan-4-yl)sulfonylquinolin-4-amine?
The IUPAC name of N,7-dimethyl-6-(4-methyloxan-4-yl)sulfonylquinolin-4-amine (CID 123481456) is N,7-dimethyl-6-(4-methyloxan-4-yl)sulfonylquinolin-4-amine.
What is the SMILES notation for N,7-dimethyl-6-(4-methyloxan-4-yl)sulfonylquinolin-4-amine?
The canonical SMILES for N,7-dimethyl-6-(4-methyloxan-4-yl)sulfonylquinolin-4-amine is CNc1ccnc2cc(C)c(S(=O)(=O)C3(C)CCOCC3)cc12.
What is the InChIKey of N,7-dimethyl-6-(4-methyloxan-4-yl)sulfonylquinolin-4-amine?
The InChIKey is AXMOFGSLFCLOCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3S/c1-12-10-15-13(14(18-3)4-7-19-15)11-16(12)23(20,21)17(2)5-8-22-9-6-17/h4,7,10-11H,5-6,8-9H2,1-3H3,(H,18,19).
What are the key properties of N,7-dimethyl-6-(4-methyloxan-4-yl)sulfonylquinolin-4-amine?
N,7-dimethyl-6-(4-methyloxan-4-yl)sulfonylquinolin-4-amine has a molecular weight of 334.44 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,7-dimethyl-6-(4-methyloxan-4-yl)sulfonylquinolin-4-amine is sourced from PubChem (CID 123481456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).