6-(4-morpholin-4-ylsulfonylphenyl)-N-pyridin-2-ylquinolin-4-amine

C24H22N4O3S — CID 134150987

IUPAC6-(4-morpholin-4-ylsulfonylphenyl)-N-pyridin-2-ylquinolin-4-amine
SMILESO=S(=O)(c1ccc(-c2ccc3nccc(Nc4ccccn4)c3c2)cc1)N1CCOCC1
InChIInChI=1S/C24H22N4O3S/c29-32(30,28-13-15-31-16-14-28)20-7-4-18(5-8-20)19-6-9-22-21(17-19)23(10-12-25-22)27-24-3-1-2-11-26-24/h1-12,17H,13-16H2,(H,25,26,27)
InChIKeyLLGXPAVHHXYMJV-UHFFFAOYSA-N
MW446.53 g/mol
LogP4.06
Rot. Bonds5

About 6-(4-morpholin-4-ylsulfonylphenyl)-N-pyridin-2-ylquinolin-4-amine

6-(4-morpholin-4-ylsulfonylphenyl)-N-pyridin-2-ylquinolin-4-amine (PubChem CID 134150987) has the molecular formula C24H22N4O3S and a molecular weight of 446.53 g/mol. Its IUPAC name is 6-(4-morpholin-4-ylsulfonylphenyl)-N-pyridin-2-ylquinolin-4-amine.

Molecular Properties

Compound Name6-(4-morpholin-4-ylsulfonylphenyl)-N-pyridin-2-ylquinolin-4-amine
PubChem CID134150987
Molecular FormulaC24H22N4O3S
Molecular Weight446.53 g/mol
Exact Mass446.14
IUPAC Name6-(4-morpholin-4-ylsulfonylphenyl)-N-pyridin-2-ylquinolin-4-amine
SMILESO=S(=O)(c1ccc(-c2ccc3nccc(Nc4ccccn4)c3c2)cc1)N1CCOCC1
InChIInChI=1S/C24H22N4O3S/c29-32(30,28-13-15-31-16-14-28)20-7-4-18(5-8-20)19-6-9-22-21(17-19)23(10-12-25-22)27-24-3-1-2-11-26-24/h1-12,17H,13-16H2,(H,25,26,27)
InChIKeyLLGXPAVHHXYMJV-UHFFFAOYSA-N
XLogP4.06
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.53
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-(4-morpholin-4-ylsulfonylphenyl)-N-pyridin-2-ylquinolin-4-amine 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 6-(4-morpholin-4-ylsulfonylphenyl)-N-pyridin-2-ylquinolin-4-amine?
The IUPAC name of 6-(4-morpholin-4-ylsulfonylphenyl)-N-pyridin-2-ylquinolin-4-amine (CID 134150987) is 6-(4-morpholin-4-ylsulfonylphenyl)-N-pyridin-2-ylquinolin-4-amine.
What is the SMILES notation for 6-(4-morpholin-4-ylsulfonylphenyl)-N-pyridin-2-ylquinolin-4-amine?
The canonical SMILES for 6-(4-morpholin-4-ylsulfonylphenyl)-N-pyridin-2-ylquinolin-4-amine is O=S(=O)(c1ccc(-c2ccc3nccc(Nc4ccccn4)c3c2)cc1)N1CCOCC1.
What is the InChIKey of 6-(4-morpholin-4-ylsulfonylphenyl)-N-pyridin-2-ylquinolin-4-amine?
The InChIKey is LLGXPAVHHXYMJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3S/c29-32(30,28-13-15-31-16-14-28)20-7-4-18(5-8-20)19-6-9-22-21(17-19)23(10-12-25-22)27-24-3-1-2-11-26-24/h1-12,17H,13-16H2,(H,25,26,27).
What are the key properties of 6-(4-morpholin-4-ylsulfonylphenyl)-N-pyridin-2-ylquinolin-4-amine?
6-(4-morpholin-4-ylsulfonylphenyl)-N-pyridin-2-ylquinolin-4-amine has a molecular weight of 446.53 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-morpholin-4-ylsulfonylphenyl)-N-pyridin-2-ylquinolin-4-amine is sourced from PubChem (CID 134150987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).