2-amino-N-(2-methoxyethyl)-5-(4-pyridin-4-ylquinolin-6-yl)pyridine-3-sulfonamide

C22H21N5O3S — CID 59860044

IUPAC2-amino-N-(2-methoxyethyl)-5-(4-pyridin-4-ylquinolin-6-yl)pyridine-3-sulfonamide
SMILESCOCCNS(=O)(=O)c1cc(-c2ccc3nccc(-c4ccncc4)c3c2)cnc1N
InChIInChI=1S/C22H21N5O3S/c1-30-11-10-27-31(28,29)21-13-17(14-26-22(21)23)16-2-3-20-19(12-16)18(6-9-25-20)15-4-7-24-8-5-15/h2-9,12-14,27H,10-11H2,1H3,(H2,23,26)
InChIKeyPMPMNLRQJIZUQV-UHFFFAOYSA-N
MW435.51 g/mol
LogP2.87
Rot. Bonds7

About 2-amino-N-(2-methoxyethyl)-5-(4-pyridin-4-ylquinolin-6-yl)pyridine-3-sulfonamide

2-amino-N-(2-methoxyethyl)-5-(4-pyridin-4-ylquinolin-6-yl)pyridine-3-sulfonamide (PubChem CID 59860044) has the molecular formula C22H21N5O3S and a molecular weight of 435.51 g/mol. Its IUPAC name is 2-amino-N-(2-methoxyethyl)-5-(4-pyridin-4-ylquinolin-6-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-amino-N-(2-methoxyethyl)-5-(4-pyridin-4-ylquinolin-6-yl)pyridine-3-sulfonamide
PubChem CID59860044
Molecular FormulaC22H21N5O3S
Molecular Weight435.51 g/mol
Exact Mass435.14
IUPAC Name2-amino-N-(2-methoxyethyl)-5-(4-pyridin-4-ylquinolin-6-yl)pyridine-3-sulfonamide
SMILESCOCCNS(=O)(=O)c1cc(-c2ccc3nccc(-c4ccncc4)c3c2)cnc1N
InChIInChI=1S/C22H21N5O3S/c1-30-11-10-27-31(28,29)21-13-17(14-26-22(21)23)16-2-3-20-19(12-16)18(6-9-25-20)15-4-7-24-8-5-15/h2-9,12-14,27H,10-11H2,1H3,(H2,23,26)
InChIKeyPMPMNLRQJIZUQV-UHFFFAOYSA-N
XLogP2.87
TPSA120.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.51
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-methoxyethyl)-5-(4-pyridin-4-ylquinolin-6-yl)pyridine-3-sulfonamide?
The IUPAC name of 2-amino-N-(2-methoxyethyl)-5-(4-pyridin-4-ylquinolin-6-yl)pyridine-3-sulfonamide (CID 59860044) is 2-amino-N-(2-methoxyethyl)-5-(4-pyridin-4-ylquinolin-6-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-amino-N-(2-methoxyethyl)-5-(4-pyridin-4-ylquinolin-6-yl)pyridine-3-sulfonamide?
The canonical SMILES for 2-amino-N-(2-methoxyethyl)-5-(4-pyridin-4-ylquinolin-6-yl)pyridine-3-sulfonamide is COCCNS(=O)(=O)c1cc(-c2ccc3nccc(-c4ccncc4)c3c2)cnc1N.
What is the InChIKey of 2-amino-N-(2-methoxyethyl)-5-(4-pyridin-4-ylquinolin-6-yl)pyridine-3-sulfonamide?
The InChIKey is PMPMNLRQJIZUQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O3S/c1-30-11-10-27-31(28,29)21-13-17(14-26-22(21)23)16-2-3-20-19(12-16)18(6-9-25-20)15-4-7-24-8-5-15/h2-9,12-14,27H,10-11H2,1H3,(H2,23,26).
What are the key properties of 2-amino-N-(2-methoxyethyl)-5-(4-pyridin-4-ylquinolin-6-yl)pyridine-3-sulfonamide?
2-amino-N-(2-methoxyethyl)-5-(4-pyridin-4-ylquinolin-6-yl)pyridine-3-sulfonamide has a molecular weight of 435.51 g/mol, XLogP of 2.87, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-methoxyethyl)-5-(4-pyridin-4-ylquinolin-6-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 59860044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).