N-[2-(2,3-dimethylimidazol-4-yl)-7-methoxy-4-methylquinolin-6-yl]methanesulfonamide;formic acid

C18H22N4O5S — CID 171338851

IUPACN-[2-(2,3-dimethylimidazol-4-yl)-7-methoxy-4-methylquinolin-6-yl]methanesulfonamide;formic acid
SMILESCOc1cc2nc(-c3cnc(C)n3C)cc(C)c2cc1NS(C)(=O)=O.O=CO
InChIInChI=1S/C17H20N4O3S.CH2O2/c1-10-6-14(16-9-18-11(2)21(16)3)19-13-8-17(24-4)15(7-12(10)13)20-25(5,22)23;2-1-3/h6-9,20H,1-5H3;1H,(H,2,3)
InChIKeyGZQSDDPVFYQNAH-UHFFFAOYSA-N
MW406.46 g/mol
LogP2.33
Rot. Bonds4

About N-[2-(2,3-dimethylimidazol-4-yl)-7-methoxy-4-methylquinolin-6-yl]methanesulfonamide;formic acid

N-[2-(2,3-dimethylimidazol-4-yl)-7-methoxy-4-methylquinolin-6-yl]methanesulfonamide;formic acid (PubChem CID 171338851) has the molecular formula C18H22N4O5S and a molecular weight of 406.46 g/mol. Its IUPAC name is N-[2-(2,3-dimethylimidazol-4-yl)-7-methoxy-4-methylquinolin-6-yl]methanesulfonamide;formic acid.

Molecular Properties

Compound NameN-[2-(2,3-dimethylimidazol-4-yl)-7-methoxy-4-methylquinolin-6-yl]methanesulfonamide;formic acid
PubChem CID171338851
Molecular FormulaC18H22N4O5S
Molecular Weight406.46 g/mol
Exact Mass406.13
IUPAC NameN-[2-(2,3-dimethylimidazol-4-yl)-7-methoxy-4-methylquinolin-6-yl]methanesulfonamide;formic acid
SMILESCOc1cc2nc(-c3cnc(C)n3C)cc(C)c2cc1NS(C)(=O)=O.O=CO
InChIInChI=1S/C17H20N4O3S.CH2O2/c1-10-6-14(16-9-18-11(2)21(16)3)19-13-8-17(24-4)15(7-12(10)13)20-25(5,22)23;2-1-3/h6-9,20H,1-5H3;1H,(H,2,3)
InChIKeyGZQSDDPVFYQNAH-UHFFFAOYSA-N
XLogP2.33
TPSA123.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2,3-dimethylimidazol-4-yl)-6-methoxy-4-methylquinolin-7-yl]acetamide
CID 169418075
N-[7-methoxy-4-methyl-2-[2-(propylamino)pyrimidin-5-yl]quinolin-6-yl]methanesulfonamide
CID 170513028
N-[2-(1H-imidazol-2-yl)-6-methoxy-4-methylquinolin-7-yl]methanesulfonamide
CID 169421069
N-[2-(furan-2-yl)-6-methoxy-4-methylquinolin-7-yl]methanesulfonamide
CID 170505012
formic acid;N-[6-methoxy-4-methyl-2-(2-methylpyrazol-3-yl)quinolin-7-yl]acetamide
CID 171339492
N-[6-methoxy-2-(3-methylimidazol-4-yl)-4-pyridin-4-ylquinolin-7-yl]methanesulfonamide
CID 171911939
N-[6-methoxy-4-methyl-2-(2-methylpyrazol-3-yl)quinolin-7-yl]acetamide
CID 169417675
N-(6-methoxy-1,3-dimethyl-2-oxobenzimidazol-5-yl)methanesulfonamide
CID 22434010
N-[6-methoxy-4-methyl-2-(1-methylpyrazol-4-yl)quinolin-7-yl]acetamide
CID 169414607
N-[2-(2,6-dimethoxyphenyl)-4-methylquinolin-6-yl]methanesulfonamide
CID 169411496
N-(7-methoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-8-yl)methanesulfonamide
CID 59831493
N-[2-(4-hydroxy-2-methoxyphenyl)-7-methoxy-4-methylquinolin-6-yl]acetamide
CID 169416469

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dimethylimidazol-4-yl)-7-methoxy-4-methylquinolin-6-yl]methanesulfonamide;formic acid?
The IUPAC name of N-[2-(2,3-dimethylimidazol-4-yl)-7-methoxy-4-methylquinolin-6-yl]methanesulfonamide;formic acid (CID 171338851) is N-[2-(2,3-dimethylimidazol-4-yl)-7-methoxy-4-methylquinolin-6-yl]methanesulfonamide;formic acid.
What is the SMILES notation for N-[2-(2,3-dimethylimidazol-4-yl)-7-methoxy-4-methylquinolin-6-yl]methanesulfonamide;formic acid?
The canonical SMILES for N-[2-(2,3-dimethylimidazol-4-yl)-7-methoxy-4-methylquinolin-6-yl]methanesulfonamide;formic acid is COc1cc2nc(-c3cnc(C)n3C)cc(C)c2cc1NS(C)(=O)=O.O=CO.
What is the InChIKey of N-[2-(2,3-dimethylimidazol-4-yl)-7-methoxy-4-methylquinolin-6-yl]methanesulfonamide;formic acid?
The InChIKey is GZQSDDPVFYQNAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3S.CH2O2/c1-10-6-14(16-9-18-11(2)21(16)3)19-13-8-17(24-4)15(7-12(10)13)20-25(5,22)23;2-1-3/h6-9,20H,1-5H3;1H,(H,2,3).
What are the key properties of N-[2-(2,3-dimethylimidazol-4-yl)-7-methoxy-4-methylquinolin-6-yl]methanesulfonamide;formic acid?
N-[2-(2,3-dimethylimidazol-4-yl)-7-methoxy-4-methylquinolin-6-yl]methanesulfonamide;formic acid has a molecular weight of 406.46 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dimethylimidazol-4-yl)-7-methoxy-4-methylquinolin-6-yl]methanesulfonamide;formic acid is sourced from PubChem (CID 171338851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).