N-[2-methoxy-5-(4-pyridin-4-ylquinolin-6-yl)-3-pyridinyl]methanesulfonamide

C21H18N4O3S — CID 59859961

IUPACN-[2-methoxy-5-(4-pyridin-4-ylquinolin-6-yl)-3-pyridinyl]methanesulfonamide
SMILESCOc1ncc(-c2ccc3nccc(-c4ccncc4)c3c2)cc1NS(C)(=O)=O
InChIInChI=1S/C21H18N4O3S/c1-28-21-20(25-29(2,26)27)12-16(13-24-21)15-3-4-19-18(11-15)17(7-10-23-19)14-5-8-22-9-6-14/h3-13,25H,1-2H3
InChIKeyGEGHYPJCEYLTLJ-UHFFFAOYSA-N
MW406.47 g/mol
LogP3.74
Rot. Bonds5

About N-[2-methoxy-5-(4-pyridin-4-ylquinolin-6-yl)-3-pyridinyl]methanesulfonamide

N-[2-methoxy-5-(4-pyridin-4-ylquinolin-6-yl)-3-pyridinyl]methanesulfonamide (PubChem CID 59859961) has the molecular formula C21H18N4O3S and a molecular weight of 406.47 g/mol. Its IUPAC name is N-[2-methoxy-5-(4-pyridin-4-ylquinolin-6-yl)-3-pyridinyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-methoxy-5-(4-pyridin-4-ylquinolin-6-yl)-3-pyridinyl]methanesulfonamide
PubChem CID59859961
Molecular FormulaC21H18N4O3S
Molecular Weight406.47 g/mol
Exact Mass406.11
IUPAC NameN-[2-methoxy-5-(4-pyridin-4-ylquinolin-6-yl)-3-pyridinyl]methanesulfonamide
SMILESCOc1ncc(-c2ccc3nccc(-c4ccncc4)c3c2)cc1NS(C)(=O)=O
InChIInChI=1S/C21H18N4O3S/c1-28-21-20(25-29(2,26)27)12-16(13-24-21)15-3-4-19-18(11-15)17(7-10-23-19)14-5-8-22-9-6-14/h3-13,25H,1-2H3
InChIKeyGEGHYPJCEYLTLJ-UHFFFAOYSA-N
XLogP3.74
TPSA94.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.47
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-(4-pyridin-4-ylquinolin-6-yl)-3-pyridinyl]methanesulfonamide?
The IUPAC name of N-[2-methoxy-5-(4-pyridin-4-ylquinolin-6-yl)-3-pyridinyl]methanesulfonamide (CID 59859961) is N-[2-methoxy-5-(4-pyridin-4-ylquinolin-6-yl)-3-pyridinyl]methanesulfonamide.
What is the SMILES notation for N-[2-methoxy-5-(4-pyridin-4-ylquinolin-6-yl)-3-pyridinyl]methanesulfonamide?
The canonical SMILES for N-[2-methoxy-5-(4-pyridin-4-ylquinolin-6-yl)-3-pyridinyl]methanesulfonamide is COc1ncc(-c2ccc3nccc(-c4ccncc4)c3c2)cc1NS(C)(=O)=O.
What is the InChIKey of N-[2-methoxy-5-(4-pyridin-4-ylquinolin-6-yl)-3-pyridinyl]methanesulfonamide?
The InChIKey is GEGHYPJCEYLTLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3S/c1-28-21-20(25-29(2,26)27)12-16(13-24-21)15-3-4-19-18(11-15)17(7-10-23-19)14-5-8-22-9-6-14/h3-13,25H,1-2H3.
What are the key properties of N-[2-methoxy-5-(4-pyridin-4-ylquinolin-6-yl)-3-pyridinyl]methanesulfonamide?
N-[2-methoxy-5-(4-pyridin-4-ylquinolin-6-yl)-3-pyridinyl]methanesulfonamide has a molecular weight of 406.47 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-5-(4-pyridin-4-ylquinolin-6-yl)-3-pyridinyl]methanesulfonamide is sourced from PubChem (CID 59859961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).