N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-2-pyridin-2-ylquinolin-4-amine

C27H26F2N6O2 — CID 59631128

IUPACN-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-2-pyridin-2-ylquinolin-4-amine
SMILESFc1cc(F)c2c(Nc3cc(N4CCOCC4)cnc3N3CCOCC3)cc(-c3ccccn3)nc2c1
InChIInChI=1S/C27H26F2N6O2/c28-18-13-20(29)26-23(14-18)32-22(21-3-1-2-4-30-21)16-24(26)33-25-15-19(34-5-9-36-10-6-34)17-31-27(25)35-7-11-37-12-8-35/h1-4,13-17H,5-12H2,(H,32,33)
InChIKeyVTAXGHZERASHRU-UHFFFAOYSA-N
MW504.54 g/mol
LogP4.39
Rot. Bonds5

About N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-2-pyridin-2-ylquinolin-4-amine

N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-2-pyridin-2-ylquinolin-4-amine (PubChem CID 59631128) has the molecular formula C27H26F2N6O2 and a molecular weight of 504.54 g/mol. Its IUPAC name is N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-2-pyridin-2-ylquinolin-4-amine.

Molecular Properties

Compound NameN-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-2-pyridin-2-ylquinolin-4-amine
PubChem CID59631128
Molecular FormulaC27H26F2N6O2
Molecular Weight504.54 g/mol
Exact Mass504.21
IUPAC NameN-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-2-pyridin-2-ylquinolin-4-amine
SMILESFc1cc(F)c2c(Nc3cc(N4CCOCC4)cnc3N3CCOCC3)cc(-c3ccccn3)nc2c1
InChIInChI=1S/C27H26F2N6O2/c28-18-13-20(29)26-23(14-18)32-22(21-3-1-2-4-30-21)16-24(26)33-25-15-19(34-5-9-36-10-6-34)17-31-27(25)35-7-11-37-12-8-35/h1-4,13-17H,5-12H2,(H,32,33)
InChIKeyVTAXGHZERASHRU-UHFFFAOYSA-N
XLogP4.39
TPSA75.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.54
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-2-pyridin-2-ylquinolin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-2-pyridin-2-ylquinolin-4-amine?
The IUPAC name of N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-2-pyridin-2-ylquinolin-4-amine (CID 59631128) is N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-2-pyridin-2-ylquinolin-4-amine.
What is the SMILES notation for N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-2-pyridin-2-ylquinolin-4-amine?
The canonical SMILES for N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-2-pyridin-2-ylquinolin-4-amine is Fc1cc(F)c2c(Nc3cc(N4CCOCC4)cnc3N3CCOCC3)cc(-c3ccccn3)nc2c1.
What is the InChIKey of N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-2-pyridin-2-ylquinolin-4-amine?
The InChIKey is VTAXGHZERASHRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26F2N6O2/c28-18-13-20(29)26-23(14-18)32-22(21-3-1-2-4-30-21)16-24(26)33-25-15-19(34-5-9-36-10-6-34)17-31-27(25)35-7-11-37-12-8-35/h1-4,13-17H,5-12H2,(H,32,33).
What are the key properties of N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-2-pyridin-2-ylquinolin-4-amine?
N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-2-pyridin-2-ylquinolin-4-amine has a molecular weight of 504.54 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-2-pyridin-2-ylquinolin-4-amine is sourced from PubChem (CID 59631128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).