N-[5-bromo-6-[(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-2-morpholin-4-ylpyrimidin-4-yl]acetamide

C25H23BrFN7O2 — CID 66630340

IUPACN-[5-bromo-6-[(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-2-morpholin-4-ylpyrimidin-4-yl]acetamide
SMILESCC(=O)Nc1nc(N2CCOCC2)nc(Nc2c(C)c(-c3ccccn3)nc3cc(F)ccc23)c1Br
InChIInChI=1S/C25H23BrFN7O2/c1-14-21(17-7-6-16(27)13-19(17)30-22(14)18-5-3-4-8-28-18)31-24-20(26)23(29-15(2)35)32-25(33-24)34-9-11-36-12-10-34/h3-8,13H,9-12H2,1-2H3,(H2,29,30,31,32,33,35)
InChIKeyCADZUCUJVULXEC-UHFFFAOYSA-N
MW552.41 g/mol
LogP4.84
Rot. Bonds5

About N-[5-bromo-6-[(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-2-morpholin-4-ylpyrimidin-4-yl]acetamide

N-[5-bromo-6-[(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-2-morpholin-4-ylpyrimidin-4-yl]acetamide (PubChem CID 66630340) has the molecular formula C25H23BrFN7O2 and a molecular weight of 552.41 g/mol. Its IUPAC name is N-[5-bromo-6-[(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-2-morpholin-4-ylpyrimidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[5-bromo-6-[(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-2-morpholin-4-ylpyrimidin-4-yl]acetamide
PubChem CID66630340
Molecular FormulaC25H23BrFN7O2
Molecular Weight552.41 g/mol
Exact Mass551.11
IUPAC NameN-[5-bromo-6-[(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-2-morpholin-4-ylpyrimidin-4-yl]acetamide
SMILESCC(=O)Nc1nc(N2CCOCC2)nc(Nc2c(C)c(-c3ccccn3)nc3cc(F)ccc23)c1Br
InChIInChI=1S/C25H23BrFN7O2/c1-14-21(17-7-6-16(27)13-19(17)30-22(14)18-5-3-4-8-28-18)31-24-20(26)23(29-15(2)35)32-25(33-24)34-9-11-36-12-10-34/h3-8,13H,9-12H2,1-2H3,(H2,29,30,31,32,33,35)
InChIKeyCADZUCUJVULXEC-UHFFFAOYSA-N
XLogP4.84
TPSA105.16 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500552.41
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[5-bromo-6-[(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-2-morpholin-4-ylpyrimidin-4-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-bromo-6-[(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-2-morpholin-4-ylpyrimidin-4-yl]acetamide?
The IUPAC name of N-[5-bromo-6-[(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-2-morpholin-4-ylpyrimidin-4-yl]acetamide (CID 66630340) is N-[5-bromo-6-[(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-2-morpholin-4-ylpyrimidin-4-yl]acetamide.
What is the SMILES notation for N-[5-bromo-6-[(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-2-morpholin-4-ylpyrimidin-4-yl]acetamide?
The canonical SMILES for N-[5-bromo-6-[(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-2-morpholin-4-ylpyrimidin-4-yl]acetamide is CC(=O)Nc1nc(N2CCOCC2)nc(Nc2c(C)c(-c3ccccn3)nc3cc(F)ccc23)c1Br.
What is the InChIKey of N-[5-bromo-6-[(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-2-morpholin-4-ylpyrimidin-4-yl]acetamide?
The InChIKey is CADZUCUJVULXEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23BrFN7O2/c1-14-21(17-7-6-16(27)13-19(17)30-22(14)18-5-3-4-8-28-18)31-24-20(26)23(29-15(2)35)32-25(33-24)34-9-11-36-12-10-34/h3-8,13H,9-12H2,1-2H3,(H2,29,30,31,32,33,35).
What are the key properties of N-[5-bromo-6-[(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-2-morpholin-4-ylpyrimidin-4-yl]acetamide?
N-[5-bromo-6-[(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-2-morpholin-4-ylpyrimidin-4-yl]acetamide has a molecular weight of 552.41 g/mol, XLogP of 4.84, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-bromo-6-[(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-2-morpholin-4-ylpyrimidin-4-yl]acetamide is sourced from PubChem (CID 66630340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).