6-(4-morpholin-4-ylsulfonylphenyl)-N-pyrimidin-4-ylquinolin-4-amine

C23H21N5O3S — CID 134139774

IUPAC6-(4-morpholin-4-ylsulfonylphenyl)-N-pyrimidin-4-ylquinolin-4-amine
SMILESO=S(=O)(c1ccc(-c2ccc3nccc(Nc4ccncn4)c3c2)cc1)N1CCOCC1
InChIInChI=1S/C23H21N5O3S/c29-32(30,28-11-13-31-14-12-28)19-4-1-17(2-5-19)18-3-6-21-20(15-18)22(7-10-25-21)27-23-8-9-24-16-26-23/h1-10,15-16H,11-14H2,(H,24,25,26,27)
InChIKeyRJBYRPANDXZSQO-UHFFFAOYSA-N
MW447.52 g/mol
LogP3.46
Rot. Bonds5

About 6-(4-morpholin-4-ylsulfonylphenyl)-N-pyrimidin-4-ylquinolin-4-amine

6-(4-morpholin-4-ylsulfonylphenyl)-N-pyrimidin-4-ylquinolin-4-amine (PubChem CID 134139774) has the molecular formula C23H21N5O3S and a molecular weight of 447.52 g/mol. Its IUPAC name is 6-(4-morpholin-4-ylsulfonylphenyl)-N-pyrimidin-4-ylquinolin-4-amine.

Molecular Properties

Compound Name6-(4-morpholin-4-ylsulfonylphenyl)-N-pyrimidin-4-ylquinolin-4-amine
PubChem CID134139774
Molecular FormulaC23H21N5O3S
Molecular Weight447.52 g/mol
Exact Mass447.14
IUPAC Name6-(4-morpholin-4-ylsulfonylphenyl)-N-pyrimidin-4-ylquinolin-4-amine
SMILESO=S(=O)(c1ccc(-c2ccc3nccc(Nc4ccncn4)c3c2)cc1)N1CCOCC1
InChIInChI=1S/C23H21N5O3S/c29-32(30,28-11-13-31-14-12-28)19-4-1-17(2-5-19)18-3-6-21-20(15-18)22(7-10-25-21)27-23-8-9-24-16-26-23/h1-10,15-16H,11-14H2,(H,24,25,26,27)
InChIKeyRJBYRPANDXZSQO-UHFFFAOYSA-N
XLogP3.46
TPSA97.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.52
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(4-morpholin-4-ylsulfonylphenyl)-N-pyrimidin-4-ylquinolin-4-amine?
The IUPAC name of 6-(4-morpholin-4-ylsulfonylphenyl)-N-pyrimidin-4-ylquinolin-4-amine (CID 134139774) is 6-(4-morpholin-4-ylsulfonylphenyl)-N-pyrimidin-4-ylquinolin-4-amine.
What is the SMILES notation for 6-(4-morpholin-4-ylsulfonylphenyl)-N-pyrimidin-4-ylquinolin-4-amine?
The canonical SMILES for 6-(4-morpholin-4-ylsulfonylphenyl)-N-pyrimidin-4-ylquinolin-4-amine is O=S(=O)(c1ccc(-c2ccc3nccc(Nc4ccncn4)c3c2)cc1)N1CCOCC1.
What is the InChIKey of 6-(4-morpholin-4-ylsulfonylphenyl)-N-pyrimidin-4-ylquinolin-4-amine?
The InChIKey is RJBYRPANDXZSQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O3S/c29-32(30,28-11-13-31-14-12-28)19-4-1-17(2-5-19)18-3-6-21-20(15-18)22(7-10-25-21)27-23-8-9-24-16-26-23/h1-10,15-16H,11-14H2,(H,24,25,26,27).
What are the key properties of 6-(4-morpholin-4-ylsulfonylphenyl)-N-pyrimidin-4-ylquinolin-4-amine?
6-(4-morpholin-4-ylsulfonylphenyl)-N-pyrimidin-4-ylquinolin-4-amine has a molecular weight of 447.52 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-morpholin-4-ylsulfonylphenyl)-N-pyrimidin-4-ylquinolin-4-amine is sourced from PubChem (CID 134139774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).