N-[6-cyano-1-[(3-methylimidazol-4-yl)methyl]-2-oxo-3,4-dihydroquinolin-3-yl]-1-methylimidazole-4-sulfonamide

C19H19N7O3S — CID 24777016

IUPACN-[6-cyano-1-[(3-methylimidazol-4-yl)methyl]-2-oxo-3,4-dihydroquinolin-3-yl]-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NC2Cc3cc(C#N)ccc3N(Cc3cncn3C)C2=O)c1
InChIInChI=1S/C19H19N7O3S/c1-24-10-18(22-12-24)30(28,29)23-16-6-14-5-13(7-20)3-4-17(14)26(19(16)27)9-15-8-21-11-25(15)2/h3-5,8,10-12,16,23H,6,9H2,1-2H3
InChIKeyWRMWWYRDWRMJDG-UHFFFAOYSA-N
MW425.47 g/mol
LogP0.46
Rot. Bonds5

About N-[6-cyano-1-[(3-methylimidazol-4-yl)methyl]-2-oxo-3,4-dihydroquinolin-3-yl]-1-methylimidazole-4-sulfonamide

N-[6-cyano-1-[(3-methylimidazol-4-yl)methyl]-2-oxo-3,4-dihydroquinolin-3-yl]-1-methylimidazole-4-sulfonamide (PubChem CID 24777016) has the molecular formula C19H19N7O3S and a molecular weight of 425.47 g/mol. Its IUPAC name is N-[6-cyano-1-[(3-methylimidazol-4-yl)methyl]-2-oxo-3,4-dihydroquinolin-3-yl]-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-[6-cyano-1-[(3-methylimidazol-4-yl)methyl]-2-oxo-3,4-dihydroquinolin-3-yl]-1-methylimidazole-4-sulfonamide
PubChem CID24777016
Molecular FormulaC19H19N7O3S
Molecular Weight425.47 g/mol
Exact Mass425.13
IUPAC NameN-[6-cyano-1-[(3-methylimidazol-4-yl)methyl]-2-oxo-3,4-dihydroquinolin-3-yl]-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NC2Cc3cc(C#N)ccc3N(Cc3cncn3C)C2=O)c1
InChIInChI=1S/C19H19N7O3S/c1-24-10-18(22-12-24)30(28,29)23-16-6-14-5-13(7-20)3-4-17(14)26(19(16)27)9-15-8-21-11-25(15)2/h3-5,8,10-12,16,23H,6,9H2,1-2H3
InChIKeyWRMWWYRDWRMJDG-UHFFFAOYSA-N
XLogP0.46
TPSA125.91 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.47
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[6-cyano-1-[(3-methylimidazol-4-yl)methyl]-2-oxo-3,4-dihydroquinolin-3-yl]-1-methylimidazole-4-sulfonamide?
The IUPAC name of N-[6-cyano-1-[(3-methylimidazol-4-yl)methyl]-2-oxo-3,4-dihydroquinolin-3-yl]-1-methylimidazole-4-sulfonamide (CID 24777016) is N-[6-cyano-1-[(3-methylimidazol-4-yl)methyl]-2-oxo-3,4-dihydroquinolin-3-yl]-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-[6-cyano-1-[(3-methylimidazol-4-yl)methyl]-2-oxo-3,4-dihydroquinolin-3-yl]-1-methylimidazole-4-sulfonamide?
The canonical SMILES for N-[6-cyano-1-[(3-methylimidazol-4-yl)methyl]-2-oxo-3,4-dihydroquinolin-3-yl]-1-methylimidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)NC2Cc3cc(C#N)ccc3N(Cc3cncn3C)C2=O)c1.
What is the InChIKey of N-[6-cyano-1-[(3-methylimidazol-4-yl)methyl]-2-oxo-3,4-dihydroquinolin-3-yl]-1-methylimidazole-4-sulfonamide?
The InChIKey is WRMWWYRDWRMJDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7O3S/c1-24-10-18(22-12-24)30(28,29)23-16-6-14-5-13(7-20)3-4-17(14)26(19(16)27)9-15-8-21-11-25(15)2/h3-5,8,10-12,16,23H,6,9H2,1-2H3.
What are the key properties of N-[6-cyano-1-[(3-methylimidazol-4-yl)methyl]-2-oxo-3,4-dihydroquinolin-3-yl]-1-methylimidazole-4-sulfonamide?
N-[6-cyano-1-[(3-methylimidazol-4-yl)methyl]-2-oxo-3,4-dihydroquinolin-3-yl]-1-methylimidazole-4-sulfonamide has a molecular weight of 425.47 g/mol, XLogP of 0.46, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-cyano-1-[(3-methylimidazol-4-yl)methyl]-2-oxo-3,4-dihydroquinolin-3-yl]-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 24777016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).