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

C23H21N5O3S — CID 25121268

IUPAC3-morpholin-4-ylsulfonyl-5-(4-pyridin-4-ylquinolin-6-yl)pyridin-2-amine
SMILESNc1ncc(-c2ccc3nccc(-c4ccncc4)c3c2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C23H21N5O3S/c24-23-22(32(29,30)28-9-11-31-12-10-28)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)
InChIKeyOQJDYXLXTBJQLR-UHFFFAOYSA-N
MW447.52 g/mol
LogP2.96
Rot. Bonds4

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

3-morpholin-4-ylsulfonyl-5-(4-pyridin-4-ylquinolin-6-yl)pyridin-2-amine (PubChem CID 25121268) has the molecular formula C23H21N5O3S and a molecular weight of 447.52 g/mol. Its IUPAC name is 3-morpholin-4-ylsulfonyl-5-(4-pyridin-4-ylquinolin-6-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-morpholin-4-ylsulfonyl-5-(4-pyridin-4-ylquinolin-6-yl)pyridin-2-amine
PubChem CID25121268
Molecular FormulaC23H21N5O3S
Molecular Weight447.52 g/mol
Exact Mass447.14
IUPAC Name3-morpholin-4-ylsulfonyl-5-(4-pyridin-4-ylquinolin-6-yl)pyridin-2-amine
SMILESNc1ncc(-c2ccc3nccc(-c4ccncc4)c3c2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C23H21N5O3S/c24-23-22(32(29,30)28-9-11-31-12-10-28)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)
InChIKeyOQJDYXLXTBJQLR-UHFFFAOYSA-N
XLogP2.96
TPSA111.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.52
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-chloro-5-[4-(6-morpholin-4-yl-3-pyridinyl)cinnolin-6-yl]-3-pyridinyl]benzenesulfonamide
CID 164619087
2-Amino-5-[4-[3-(aminosulfonyl)phenyl]-6-quinolinyl]-N,N-dimethyl-3-pyridinesulfonamide
CID 44526922
3-(1-Piperidinylsulfonyl)-5-[4-(4-pyridinyl)-6-quinolinyl]-2-pyridinamine
CID 44526983
N-(3-morpholin-4-ylsulfonylphenyl)-5-phenyl-2-pyrimidin-5-ylquinazolin-4-amine
CID 68204939
N-[2-(1H-indol-3-yl)ethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 2547568
6-(4-morpholin-4-ylsulfonylphenyl)-N-pyrimidin-4-ylquinolin-4-amine
CID 134139774
6-(4-morpholin-4-ylsulfonylphenyl)-N-pyridin-4-ylquinolin-4-amine
CID 134142500
N-(5-chloropyrimidin-2-yl)-6-(4-morpholin-4-ylsulfonylphenyl)quinolin-4-amine
CID 134144337
2,4-difluoro-N-[2-morpholin-4-yl-5-[4-[4-(morpholin-4-ylmethyl)phenyl]quinolin-6-yl]-3-pyridinyl]benzenesulfonamide
CID 134148055
6-(4-morpholin-4-ylsulfonylphenyl)-N-phenylquinolin-4-amine
CID 134148786
6-(2-morpholin-4-ylpyrimidin-4-yl)-N-pyridin-4-ylquinazolin-4-amine
CID 145957916
N-(2-morpholin-4-ylethyl)-3-(8-pyridin-4-yl-1,5-naphthyridin-2-yl)benzenesulfonamide
CID 145962958

Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-ylsulfonyl-5-(4-pyridin-4-ylquinolin-6-yl)pyridin-2-amine?
The IUPAC name of 3-morpholin-4-ylsulfonyl-5-(4-pyridin-4-ylquinolin-6-yl)pyridin-2-amine (CID 25121268) is 3-morpholin-4-ylsulfonyl-5-(4-pyridin-4-ylquinolin-6-yl)pyridin-2-amine.
What is the SMILES notation for 3-morpholin-4-ylsulfonyl-5-(4-pyridin-4-ylquinolin-6-yl)pyridin-2-amine?
The canonical SMILES for 3-morpholin-4-ylsulfonyl-5-(4-pyridin-4-ylquinolin-6-yl)pyridin-2-amine is Nc1ncc(-c2ccc3nccc(-c4ccncc4)c3c2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 3-morpholin-4-ylsulfonyl-5-(4-pyridin-4-ylquinolin-6-yl)pyridin-2-amine?
The InChIKey is OQJDYXLXTBJQLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O3S/c24-23-22(32(29,30)28-9-11-31-12-10-28)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-ylsulfonyl-5-(4-pyridin-4-ylquinolin-6-yl)pyridin-2-amine?
3-morpholin-4-ylsulfonyl-5-(4-pyridin-4-ylquinolin-6-yl)pyridin-2-amine has a molecular weight of 447.52 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-ylsulfonyl-5-(4-pyridin-4-ylquinolin-6-yl)pyridin-2-amine is sourced from PubChem (CID 25121268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).