2-[4-[[2-amino-5-(4-pyridin-4-ylquinolin-6-yl)-3-pyridinyl]sulfonyl]piperazin-1-yl]ethanol

C25H26N6O3S — CID 59860081

IUPAC2-[4-[[2-amino-5-(4-pyridin-4-ylquinolin-6-yl)-3-pyridinyl]sulfonyl]piperazin-1-yl]ethanol
SMILESNc1ncc(-c2ccc3nccc(-c4ccncc4)c3c2)cc1S(=O)(=O)N1CCN(CCO)CC1
InChIInChI=1S/C25H26N6O3S/c26-25-24(35(33,34)31-11-9-30(10-12-31)13-14-32)16-20(17-29-25)19-1-2-23-22(15-19)21(5-8-28-23)18-3-6-27-7-4-18/h1-8,15-17,32H,9-14H2,(H2,26,29)
InChIKeyMKAQOVMVHVQIFA-UHFFFAOYSA-N
MW490.59 g/mol
LogP2.24
Rot. Bonds6

About 2-[4-[[2-amino-5-(4-pyridin-4-ylquinolin-6-yl)-3-pyridinyl]sulfonyl]piperazin-1-yl]ethanol

2-[4-[[2-amino-5-(4-pyridin-4-ylquinolin-6-yl)-3-pyridinyl]sulfonyl]piperazin-1-yl]ethanol (PubChem CID 59860081) has the molecular formula C25H26N6O3S and a molecular weight of 490.59 g/mol. Its IUPAC name is 2-[4-[[2-amino-5-(4-pyridin-4-ylquinolin-6-yl)-3-pyridinyl]sulfonyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[2-amino-5-(4-pyridin-4-ylquinolin-6-yl)-3-pyridinyl]sulfonyl]piperazin-1-yl]ethanol
PubChem CID59860081
Molecular FormulaC25H26N6O3S
Molecular Weight490.59 g/mol
Exact Mass490.18
IUPAC Name2-[4-[[2-amino-5-(4-pyridin-4-ylquinolin-6-yl)-3-pyridinyl]sulfonyl]piperazin-1-yl]ethanol
SMILESNc1ncc(-c2ccc3nccc(-c4ccncc4)c3c2)cc1S(=O)(=O)N1CCN(CCO)CC1
InChIInChI=1S/C25H26N6O3S/c26-25-24(35(33,34)31-11-9-30(10-12-31)13-14-32)16-20(17-29-25)19-1-2-23-22(15-19)21(5-8-28-23)18-3-6-27-7-4-18/h1-8,15-17,32H,9-14H2,(H2,26,29)
InChIKeyMKAQOVMVHVQIFA-UHFFFAOYSA-N
XLogP2.24
TPSA125.54 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.59
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-amino-5-(4-pyridin-4-ylquinolin-6-yl)-3-pyridinyl]sulfonyl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[[2-amino-5-(4-pyridin-4-ylquinolin-6-yl)-3-pyridinyl]sulfonyl]piperazin-1-yl]ethanol (CID 59860081) is 2-[4-[[2-amino-5-(4-pyridin-4-ylquinolin-6-yl)-3-pyridinyl]sulfonyl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[[2-amino-5-(4-pyridin-4-ylquinolin-6-yl)-3-pyridinyl]sulfonyl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[[2-amino-5-(4-pyridin-4-ylquinolin-6-yl)-3-pyridinyl]sulfonyl]piperazin-1-yl]ethanol is Nc1ncc(-c2ccc3nccc(-c4ccncc4)c3c2)cc1S(=O)(=O)N1CCN(CCO)CC1.
What is the InChIKey of 2-[4-[[2-amino-5-(4-pyridin-4-ylquinolin-6-yl)-3-pyridinyl]sulfonyl]piperazin-1-yl]ethanol?
The InChIKey is MKAQOVMVHVQIFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O3S/c26-25-24(35(33,34)31-11-9-30(10-12-31)13-14-32)16-20(17-29-25)19-1-2-23-22(15-19)21(5-8-28-23)18-3-6-27-7-4-18/h1-8,15-17,32H,9-14H2,(H2,26,29).
What are the key properties of 2-[4-[[2-amino-5-(4-pyridin-4-ylquinolin-6-yl)-3-pyridinyl]sulfonyl]piperazin-1-yl]ethanol?
2-[4-[[2-amino-5-(4-pyridin-4-ylquinolin-6-yl)-3-pyridinyl]sulfonyl]piperazin-1-yl]ethanol has a molecular weight of 490.59 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-amino-5-(4-pyridin-4-ylquinolin-6-yl)-3-pyridinyl]sulfonyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 59860081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).