N-[6-methoxy-2-(3-methylimidazol-4-yl)-4-pyridin-4-ylquinolin-7-yl]methanesulfonamide

C20H19N5O3S — CID 171911939

IUPACN-[6-methoxy-2-(3-methylimidazol-4-yl)-4-pyridin-4-ylquinolin-7-yl]methanesulfonamide
SMILESCOc1cc2c(-c3ccncc3)cc(-c3cncn3C)nc2cc1NS(C)(=O)=O
InChIInChI=1S/C20H19N5O3S/c1-25-12-22-11-19(25)17-8-14(13-4-6-21-7-5-13)15-9-20(28-2)18(10-16(15)23-17)24-29(3,26)27/h4-12,24H,1-3H3
InChIKeyDUBCGWHIMRZNCE-UHFFFAOYSA-N
MW409.47 g/mol
LogP3.08
Rot. Bonds5

About N-[6-methoxy-2-(3-methylimidazol-4-yl)-4-pyridin-4-ylquinolin-7-yl]methanesulfonamide

N-[6-methoxy-2-(3-methylimidazol-4-yl)-4-pyridin-4-ylquinolin-7-yl]methanesulfonamide (PubChem CID 171911939) has the molecular formula C20H19N5O3S and a molecular weight of 409.47 g/mol. Its IUPAC name is N-[6-methoxy-2-(3-methylimidazol-4-yl)-4-pyridin-4-ylquinolin-7-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[6-methoxy-2-(3-methylimidazol-4-yl)-4-pyridin-4-ylquinolin-7-yl]methanesulfonamide
PubChem CID171911939
Molecular FormulaC20H19N5O3S
Molecular Weight409.47 g/mol
Exact Mass409.12
IUPAC NameN-[6-methoxy-2-(3-methylimidazol-4-yl)-4-pyridin-4-ylquinolin-7-yl]methanesulfonamide
SMILESCOc1cc2c(-c3ccncc3)cc(-c3cncn3C)nc2cc1NS(C)(=O)=O
InChIInChI=1S/C20H19N5O3S/c1-25-12-22-11-19(25)17-8-14(13-4-6-21-7-5-13)15-9-20(28-2)18(10-16(15)23-17)24-29(3,26)27/h4-12,24H,1-3H3
InChIKeyDUBCGWHIMRZNCE-UHFFFAOYSA-N
XLogP3.08
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(furan-2-yl)-6-methoxy-4-methylquinolin-7-yl]methanesulfonamide
CID 170505012
N-[2-(2,3-dimethylimidazol-4-yl)-7-methoxy-4-methylquinolin-6-yl]methanesulfonamide;formic acid
CID 171338851
N-[2-(1H-imidazol-2-yl)-6-methoxy-4-methylquinolin-7-yl]methanesulfonamide
CID 169421069
ethane;methyl 7-methyl-2-(3-methylimidazol-4-yl)quinoline-4-carboxylate
CID 142143445
N-[7-methoxy-4-methyl-2-[2-(propylamino)pyrimidin-5-yl]quinolin-6-yl]methanesulfonamide
CID 170513028
N-(7-methoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-8-yl)methanesulfonamide
CID 59831493
methyl 2-(3-methylimidazol-4-yl)-1,5-naphthyridine-4-carboxylate
CID 20753067
N-(6-methoxy-1,3-dimethyl-2-oxobenzimidazol-5-yl)methanesulfonamide
CID 22434010
N-[6-methoxy-4-methyl-2-(2-methylpyrazol-3-yl)quinolin-7-yl]acetamide
CID 169417675
3-[7-chloro-2-(3-methylimidazol-4-yl)-4-(2-pyridin-4-ylethyl)quinolin-6-yl]propanenitrile
CID 71216566
N-[3-(4-fluorophenyl)-4-pyridinyl]methanesulfonamide
CID 141481661
N-(5-isoquinolin-7-yl-2-methoxy-3-pyridinyl)methanesulfonamide
CID 155512208

Frequently Asked Questions

What is the IUPAC name of N-[6-methoxy-2-(3-methylimidazol-4-yl)-4-pyridin-4-ylquinolin-7-yl]methanesulfonamide?
The IUPAC name of N-[6-methoxy-2-(3-methylimidazol-4-yl)-4-pyridin-4-ylquinolin-7-yl]methanesulfonamide (CID 171911939) is N-[6-methoxy-2-(3-methylimidazol-4-yl)-4-pyridin-4-ylquinolin-7-yl]methanesulfonamide.
What is the SMILES notation for N-[6-methoxy-2-(3-methylimidazol-4-yl)-4-pyridin-4-ylquinolin-7-yl]methanesulfonamide?
The canonical SMILES for N-[6-methoxy-2-(3-methylimidazol-4-yl)-4-pyridin-4-ylquinolin-7-yl]methanesulfonamide is COc1cc2c(-c3ccncc3)cc(-c3cncn3C)nc2cc1NS(C)(=O)=O.
What is the InChIKey of N-[6-methoxy-2-(3-methylimidazol-4-yl)-4-pyridin-4-ylquinolin-7-yl]methanesulfonamide?
The InChIKey is DUBCGWHIMRZNCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O3S/c1-25-12-22-11-19(25)17-8-14(13-4-6-21-7-5-13)15-9-20(28-2)18(10-16(15)23-17)24-29(3,26)27/h4-12,24H,1-3H3.
What are the key properties of N-[6-methoxy-2-(3-methylimidazol-4-yl)-4-pyridin-4-ylquinolin-7-yl]methanesulfonamide?
N-[6-methoxy-2-(3-methylimidazol-4-yl)-4-pyridin-4-ylquinolin-7-yl]methanesulfonamide has a molecular weight of 409.47 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-methoxy-2-(3-methylimidazol-4-yl)-4-pyridin-4-ylquinolin-7-yl]methanesulfonamide is sourced from PubChem (CID 171911939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).