3-morpholin-4-ylsulfinyl-5-(4-pyridin-4-ylquinolin-6-yl)pyridin-2-amine

C23H21N5O2S — CID 69175357

IUPAC3-morpholin-4-ylsulfinyl-5-(4-pyridin-4-ylquinolin-6-yl)pyridin-2-amine
SMILESNc1ncc(-c2ccc3nccc(-c4ccncc4)c3c2)cc1S(=O)N1CCOCC1
InChIInChI=1S/C23H21N5O2S/c24-23-22(31(29)28-9-11-30-12-10-28)14-18(15-27-23)17-1-2-21-20(13-17)19(5-8-26-21)16-3-6-25-7-4-16/h1-8,13-15H,9-12H2,(H2,24,27)
InChIKeyBUVUGQFLFGBDHL-UHFFFAOYSA-N
MW431.52 g/mol
LogP3.30
Rot. Bonds4

About 3-morpholin-4-ylsulfinyl-5-(4-pyridin-4-ylquinolin-6-yl)pyridin-2-amine

3-morpholin-4-ylsulfinyl-5-(4-pyridin-4-ylquinolin-6-yl)pyridin-2-amine (PubChem CID 69175357) has the molecular formula C23H21N5O2S and a molecular weight of 431.52 g/mol. Its IUPAC name is 3-morpholin-4-ylsulfinyl-5-(4-pyridin-4-ylquinolin-6-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-morpholin-4-ylsulfinyl-5-(4-pyridin-4-ylquinolin-6-yl)pyridin-2-amine
PubChem CID69175357
Molecular FormulaC23H21N5O2S
Molecular Weight431.52 g/mol
Exact Mass431.14
IUPAC Name3-morpholin-4-ylsulfinyl-5-(4-pyridin-4-ylquinolin-6-yl)pyridin-2-amine
SMILESNc1ncc(-c2ccc3nccc(-c4ccncc4)c3c2)cc1S(=O)N1CCOCC1
InChIInChI=1S/C23H21N5O2S/c24-23-22(31(29)28-9-11-30-12-10-28)14-18(15-27-23)17-1-2-21-20(13-17)19(5-8-26-21)16-3-6-25-7-4-16/h1-8,13-15H,9-12H2,(H2,24,27)
InChIKeyBUVUGQFLFGBDHL-UHFFFAOYSA-N
XLogP3.30
TPSA94.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.52
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-ylsulfinyl-5-(4-pyridin-4-ylquinolin-6-yl)pyridin-2-amine?
The IUPAC name of 3-morpholin-4-ylsulfinyl-5-(4-pyridin-4-ylquinolin-6-yl)pyridin-2-amine (CID 69175357) is 3-morpholin-4-ylsulfinyl-5-(4-pyridin-4-ylquinolin-6-yl)pyridin-2-amine.
What is the SMILES notation for 3-morpholin-4-ylsulfinyl-5-(4-pyridin-4-ylquinolin-6-yl)pyridin-2-amine?
The canonical SMILES for 3-morpholin-4-ylsulfinyl-5-(4-pyridin-4-ylquinolin-6-yl)pyridin-2-amine is Nc1ncc(-c2ccc3nccc(-c4ccncc4)c3c2)cc1S(=O)N1CCOCC1.
What is the InChIKey of 3-morpholin-4-ylsulfinyl-5-(4-pyridin-4-ylquinolin-6-yl)pyridin-2-amine?
The InChIKey is BUVUGQFLFGBDHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O2S/c24-23-22(31(29)28-9-11-30-12-10-28)14-18(15-27-23)17-1-2-21-20(13-17)19(5-8-26-21)16-3-6-25-7-4-16/h1-8,13-15H,9-12H2,(H2,24,27).
What are the key properties of 3-morpholin-4-ylsulfinyl-5-(4-pyridin-4-ylquinolin-6-yl)pyridin-2-amine?
3-morpholin-4-ylsulfinyl-5-(4-pyridin-4-ylquinolin-6-yl)pyridin-2-amine has a molecular weight of 431.52 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-ylsulfinyl-5-(4-pyridin-4-ylquinolin-6-yl)pyridin-2-amine is sourced from PubChem (CID 69175357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).