N,N-diethyl-5-(4-pyridin-4-ylquinolin-6-yl)pyridine-3-sulfonamide

C23H22N4O2S — CID 59860014

IUPACN,N-diethyl-5-(4-pyridin-4-ylquinolin-6-yl)pyridine-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1cncc(-c2ccc3nccc(-c4ccncc4)c3c2)c1
InChIInChI=1S/C23H22N4O2S/c1-3-27(4-2)30(28,29)20-13-19(15-25-16-20)18-5-6-23-22(14-18)21(9-12-26-23)17-7-10-24-11-8-17/h5-16H,3-4H2,1-2H3
InChIKeyBUMXPGLUASPKQH-UHFFFAOYSA-N
MW418.52 g/mol
LogP4.39
Rot. Bonds6

About N,N-diethyl-5-(4-pyridin-4-ylquinolin-6-yl)pyridine-3-sulfonamide

N,N-diethyl-5-(4-pyridin-4-ylquinolin-6-yl)pyridine-3-sulfonamide (PubChem CID 59860014) has the molecular formula C23H22N4O2S and a molecular weight of 418.52 g/mol. Its IUPAC name is N,N-diethyl-5-(4-pyridin-4-ylquinolin-6-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN,N-diethyl-5-(4-pyridin-4-ylquinolin-6-yl)pyridine-3-sulfonamide
PubChem CID59860014
Molecular FormulaC23H22N4O2S
Molecular Weight418.52 g/mol
Exact Mass418.15
IUPAC NameN,N-diethyl-5-(4-pyridin-4-ylquinolin-6-yl)pyridine-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1cncc(-c2ccc3nccc(-c4ccncc4)c3c2)c1
InChIInChI=1S/C23H22N4O2S/c1-3-27(4-2)30(28,29)20-13-19(15-25-16-20)18-5-6-23-22(14-18)21(9-12-26-23)17-7-10-24-11-8-17/h5-16H,3-4H2,1-2H3
InChIKeyBUMXPGLUASPKQH-UHFFFAOYSA-N
XLogP4.39
TPSA76.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-(4-pyridin-4-ylquinolin-6-yl)pyridine-3-sulfonamide?
The IUPAC name of N,N-diethyl-5-(4-pyridin-4-ylquinolin-6-yl)pyridine-3-sulfonamide (CID 59860014) is N,N-diethyl-5-(4-pyridin-4-ylquinolin-6-yl)pyridine-3-sulfonamide.
What is the SMILES notation for N,N-diethyl-5-(4-pyridin-4-ylquinolin-6-yl)pyridine-3-sulfonamide?
The canonical SMILES for N,N-diethyl-5-(4-pyridin-4-ylquinolin-6-yl)pyridine-3-sulfonamide is CCN(CC)S(=O)(=O)c1cncc(-c2ccc3nccc(-c4ccncc4)c3c2)c1.
What is the InChIKey of N,N-diethyl-5-(4-pyridin-4-ylquinolin-6-yl)pyridine-3-sulfonamide?
The InChIKey is BUMXPGLUASPKQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2S/c1-3-27(4-2)30(28,29)20-13-19(15-25-16-20)18-5-6-23-22(14-18)21(9-12-26-23)17-7-10-24-11-8-17/h5-16H,3-4H2,1-2H3.
What are the key properties of N,N-diethyl-5-(4-pyridin-4-ylquinolin-6-yl)pyridine-3-sulfonamide?
N,N-diethyl-5-(4-pyridin-4-ylquinolin-6-yl)pyridine-3-sulfonamide has a molecular weight of 418.52 g/mol, XLogP of 4.39, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-(4-pyridin-4-ylquinolin-6-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 59860014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).