6-(4-morpholin-4-ylsulfonylphenyl)-N-(2-pyrrolidin-1-ylethyl)quinolin-4-amine

C25H30N4O3S — CID 155541467

IUPAC6-(4-morpholin-4-ylsulfonylphenyl)-N-(2-pyrrolidin-1-ylethyl)quinolin-4-amine
SMILESO=S(=O)(c1ccc(-c2ccc3nccc(NCCN4CCCC4)c3c2)cc1)N1CCOCC1
InChIInChI=1S/C25H30N4O3S/c30-33(31,29-15-17-32-18-16-29)22-6-3-20(4-7-22)21-5-8-24-23(19-21)25(9-10-26-24)27-11-14-28-12-1-2-13-28/h3-10,19H,1-2,11-18H2,(H,26,27)
InChIKeyTYYQDLJGUQTFLJ-UHFFFAOYSA-N
MW466.61 g/mol
LogP3.43
Rot. Bonds7

About 6-(4-morpholin-4-ylsulfonylphenyl)-N-(2-pyrrolidin-1-ylethyl)quinolin-4-amine

6-(4-morpholin-4-ylsulfonylphenyl)-N-(2-pyrrolidin-1-ylethyl)quinolin-4-amine (PubChem CID 155541467) has the molecular formula C25H30N4O3S and a molecular weight of 466.61 g/mol. Its IUPAC name is 6-(4-morpholin-4-ylsulfonylphenyl)-N-(2-pyrrolidin-1-ylethyl)quinolin-4-amine.

Molecular Properties

Compound Name6-(4-morpholin-4-ylsulfonylphenyl)-N-(2-pyrrolidin-1-ylethyl)quinolin-4-amine
PubChem CID155541467
Molecular FormulaC25H30N4O3S
Molecular Weight466.61 g/mol
Exact Mass466.20
IUPAC Name6-(4-morpholin-4-ylsulfonylphenyl)-N-(2-pyrrolidin-1-ylethyl)quinolin-4-amine
SMILESO=S(=O)(c1ccc(-c2ccc3nccc(NCCN4CCCC4)c3c2)cc1)N1CCOCC1
InChIInChI=1S/C25H30N4O3S/c30-33(31,29-15-17-32-18-16-29)22-6-3-20(4-7-22)21-5-8-24-23(19-21)25(9-10-26-24)27-11-14-28-12-1-2-13-28/h3-10,19H,1-2,11-18H2,(H,26,27)
InChIKeyTYYQDLJGUQTFLJ-UHFFFAOYSA-N
XLogP3.43
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.61
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-morpholin-4-ylsulfonylphenyl)-N-(2-pyrrolidin-1-ylethyl)quinolin-4-amine?
The IUPAC name of 6-(4-morpholin-4-ylsulfonylphenyl)-N-(2-pyrrolidin-1-ylethyl)quinolin-4-amine (CID 155541467) is 6-(4-morpholin-4-ylsulfonylphenyl)-N-(2-pyrrolidin-1-ylethyl)quinolin-4-amine.
What is the SMILES notation for 6-(4-morpholin-4-ylsulfonylphenyl)-N-(2-pyrrolidin-1-ylethyl)quinolin-4-amine?
The canonical SMILES for 6-(4-morpholin-4-ylsulfonylphenyl)-N-(2-pyrrolidin-1-ylethyl)quinolin-4-amine is O=S(=O)(c1ccc(-c2ccc3nccc(NCCN4CCCC4)c3c2)cc1)N1CCOCC1.
What is the InChIKey of 6-(4-morpholin-4-ylsulfonylphenyl)-N-(2-pyrrolidin-1-ylethyl)quinolin-4-amine?
The InChIKey is TYYQDLJGUQTFLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O3S/c30-33(31,29-15-17-32-18-16-29)22-6-3-20(4-7-22)21-5-8-24-23(19-21)25(9-10-26-24)27-11-14-28-12-1-2-13-28/h3-10,19H,1-2,11-18H2,(H,26,27).
What are the key properties of 6-(4-morpholin-4-ylsulfonylphenyl)-N-(2-pyrrolidin-1-ylethyl)quinolin-4-amine?
6-(4-morpholin-4-ylsulfonylphenyl)-N-(2-pyrrolidin-1-ylethyl)quinolin-4-amine has a molecular weight of 466.61 g/mol, XLogP of 3.43, 7 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-(2-pyrrolidin-1-ylethyl)quinolin-4-amine is sourced from PubChem (CID 155541467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).