6-(4-morpholin-4-ylsulfonylphenyl)-N-phenylquinolin-4-amine

C25H23N3O3S — CID 134148786

IUPAC6-(4-morpholin-4-ylsulfonylphenyl)-N-phenylquinolin-4-amine
SMILESO=S(=O)(c1ccc(-c2ccc3nccc(Nc4ccccc4)c3c2)cc1)N1CCOCC1
InChIInChI=1S/C25H23N3O3S/c29-32(30,28-14-16-31-17-15-28)22-9-6-19(7-10-22)20-8-11-24-23(18-20)25(12-13-26-24)27-21-4-2-1-3-5-21/h1-13,18H,14-17H2,(H,26,27)
InChIKeyYDFNBWYOLHTOBN-UHFFFAOYSA-N
MW445.54 g/mol
LogP4.67
Rot. Bonds5

About 6-(4-morpholin-4-ylsulfonylphenyl)-N-phenylquinolin-4-amine

6-(4-morpholin-4-ylsulfonylphenyl)-N-phenylquinolin-4-amine (PubChem CID 134148786) has the molecular formula C25H23N3O3S and a molecular weight of 445.54 g/mol. Its IUPAC name is 6-(4-morpholin-4-ylsulfonylphenyl)-N-phenylquinolin-4-amine.

Molecular Properties

Compound Name6-(4-morpholin-4-ylsulfonylphenyl)-N-phenylquinolin-4-amine
PubChem CID134148786
Molecular FormulaC25H23N3O3S
Molecular Weight445.54 g/mol
Exact Mass445.15
IUPAC Name6-(4-morpholin-4-ylsulfonylphenyl)-N-phenylquinolin-4-amine
SMILESO=S(=O)(c1ccc(-c2ccc3nccc(Nc4ccccc4)c3c2)cc1)N1CCOCC1
InChIInChI=1S/C25H23N3O3S/c29-32(30,28-14-16-31-17-15-28)22-9-6-19(7-10-22)20-8-11-24-23(18-20)25(12-13-26-24)27-21-4-2-1-3-5-21/h1-13,18H,14-17H2,(H,26,27)
InChIKeyYDFNBWYOLHTOBN-UHFFFAOYSA-N
XLogP4.67
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.54
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-morpholin-4-ylsulfonylphenyl)-N-phenylquinolin-4-amine?
The IUPAC name of 6-(4-morpholin-4-ylsulfonylphenyl)-N-phenylquinolin-4-amine (CID 134148786) is 6-(4-morpholin-4-ylsulfonylphenyl)-N-phenylquinolin-4-amine.
What is the SMILES notation for 6-(4-morpholin-4-ylsulfonylphenyl)-N-phenylquinolin-4-amine?
The canonical SMILES for 6-(4-morpholin-4-ylsulfonylphenyl)-N-phenylquinolin-4-amine is O=S(=O)(c1ccc(-c2ccc3nccc(Nc4ccccc4)c3c2)cc1)N1CCOCC1.
What is the InChIKey of 6-(4-morpholin-4-ylsulfonylphenyl)-N-phenylquinolin-4-amine?
The InChIKey is YDFNBWYOLHTOBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O3S/c29-32(30,28-14-16-31-17-15-28)22-9-6-19(7-10-22)20-8-11-24-23(18-20)25(12-13-26-24)27-21-4-2-1-3-5-21/h1-13,18H,14-17H2,(H,26,27).
What are the key properties of 6-(4-morpholin-4-ylsulfonylphenyl)-N-phenylquinolin-4-amine?
6-(4-morpholin-4-ylsulfonylphenyl)-N-phenylquinolin-4-amine has a molecular weight of 445.54 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-morpholin-4-ylsulfonylphenyl)-N-phenylquinolin-4-amine is sourced from PubChem (CID 134148786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).