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

C23H20N4O3S — CID 59367474

IUPACN-[2-methoxy-5-(4-pyridin-4-ylquinolin-6-yl)-3-pyridinyl]cyclopropanesulfonamide
SMILESCOc1ncc(-c2ccc3nccc(-c4ccncc4)c3c2)cc1NS(=O)(=O)C1CC1
InChIInChI=1S/C23H20N4O3S/c1-30-23-22(27-31(28,29)18-3-4-18)13-17(14-26-23)16-2-5-21-20(12-16)19(8-11-25-21)15-6-9-24-10-7-15/h2,5-14,18,27H,3-4H2,1H3
InChIKeyLPKHBMXEINFFPA-UHFFFAOYSA-N
MW432.51 g/mol
LogP4.27
Rot. Bonds6

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

N-[2-methoxy-5-(4-pyridin-4-ylquinolin-6-yl)-3-pyridinyl]cyclopropanesulfonamide (PubChem CID 59367474) has the molecular formula C23H20N4O3S and a molecular weight of 432.51 g/mol. Its IUPAC name is N-[2-methoxy-5-(4-pyridin-4-ylquinolin-6-yl)-3-pyridinyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[2-methoxy-5-(4-pyridin-4-ylquinolin-6-yl)-3-pyridinyl]cyclopropanesulfonamide
PubChem CID59367474
Molecular FormulaC23H20N4O3S
Molecular Weight432.51 g/mol
Exact Mass432.13
IUPAC NameN-[2-methoxy-5-(4-pyridin-4-ylquinolin-6-yl)-3-pyridinyl]cyclopropanesulfonamide
SMILESCOc1ncc(-c2ccc3nccc(-c4ccncc4)c3c2)cc1NS(=O)(=O)C1CC1
InChIInChI=1S/C23H20N4O3S/c1-30-23-22(27-31(28,29)18-3-4-18)13-17(14-26-23)16-2-5-21-20(12-16)19(8-11-25-21)15-6-9-24-10-7-15/h2,5-14,18,27H,3-4H2,1H3
InChIKeyLPKHBMXEINFFPA-UHFFFAOYSA-N
XLogP4.27
TPSA94.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.51
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-methoxy-5-(4-pyridin-4-ylquinolin-6-yl)-3-pyridinyl]cyclopropanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-(4-pyridin-4-ylquinolin-6-yl)-3-pyridinyl]cyclopropanesulfonamide?
The IUPAC name of N-[2-methoxy-5-(4-pyridin-4-ylquinolin-6-yl)-3-pyridinyl]cyclopropanesulfonamide (CID 59367474) is N-[2-methoxy-5-(4-pyridin-4-ylquinolin-6-yl)-3-pyridinyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[2-methoxy-5-(4-pyridin-4-ylquinolin-6-yl)-3-pyridinyl]cyclopropanesulfonamide?
The canonical SMILES for N-[2-methoxy-5-(4-pyridin-4-ylquinolin-6-yl)-3-pyridinyl]cyclopropanesulfonamide is COc1ncc(-c2ccc3nccc(-c4ccncc4)c3c2)cc1NS(=O)(=O)C1CC1.
What is the InChIKey of N-[2-methoxy-5-(4-pyridin-4-ylquinolin-6-yl)-3-pyridinyl]cyclopropanesulfonamide?
The InChIKey is LPKHBMXEINFFPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3S/c1-30-23-22(27-31(28,29)18-3-4-18)13-17(14-26-23)16-2-5-21-20(12-16)19(8-11-25-21)15-6-9-24-10-7-15/h2,5-14,18,27H,3-4H2,1H3.
What are the key properties of N-[2-methoxy-5-(4-pyridin-4-ylquinolin-6-yl)-3-pyridinyl]cyclopropanesulfonamide?
N-[2-methoxy-5-(4-pyridin-4-ylquinolin-6-yl)-3-pyridinyl]cyclopropanesulfonamide has a molecular weight of 432.51 g/mol, XLogP of 4.27, 6 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]cyclopropanesulfonamide is sourced from PubChem (CID 59367474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).