2-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-2-(6-methoxypyridazin-3-yl)acetamide

C25H23FN6O3 — CID 118954945

IUPAC2-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-2-(6-methoxypyridazin-3-yl)acetamide
SMILESCOc1ccc(C(C(N)=O)c2ccc(F)c(-c3ncnc4cc(N5CCOCC5)ccc34)c2)nn1
InChIInChI=1S/C25H23FN6O3/c1-34-22-7-6-20(30-31-22)23(25(27)33)15-2-5-19(26)18(12-15)24-17-4-3-16(13-21(17)28-14-29-24)32-8-10-35-11-9-32/h2-7,12-14,23H,8-11H2,1H3,(H2,27,33)
InChIKeyISTYTDDGDVSFKS-UHFFFAOYSA-N
MW474.50 g/mol
LogP2.69
Rot. Bonds6

About 2-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-2-(6-methoxypyridazin-3-yl)acetamide

2-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-2-(6-methoxypyridazin-3-yl)acetamide (PubChem CID 118954945) has the molecular formula C25H23FN6O3 and a molecular weight of 474.50 g/mol. Its IUPAC name is 2-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-2-(6-methoxypyridazin-3-yl)acetamide.

Molecular Properties

Compound Name2-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-2-(6-methoxypyridazin-3-yl)acetamide
PubChem CID118954945
Molecular FormulaC25H23FN6O3
Molecular Weight474.50 g/mol
Exact Mass474.18
IUPAC Name2-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-2-(6-methoxypyridazin-3-yl)acetamide
SMILESCOc1ccc(C(C(N)=O)c2ccc(F)c(-c3ncnc4cc(N5CCOCC5)ccc34)c2)nn1
InChIInChI=1S/C25H23FN6O3/c1-34-22-7-6-20(30-31-22)23(25(27)33)15-2-5-19(26)18(12-15)24-17-4-3-16(13-21(17)28-14-29-24)32-8-10-35-11-9-32/h2-7,12-14,23H,8-11H2,1H3,(H2,27,33)
InChIKeyISTYTDDGDVSFKS-UHFFFAOYSA-N
XLogP2.69
TPSA116.35 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.50
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-2-(6-methoxypyridazin-3-yl)acetamide?
The IUPAC name of 2-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-2-(6-methoxypyridazin-3-yl)acetamide (CID 118954945) is 2-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-2-(6-methoxypyridazin-3-yl)acetamide.
What is the SMILES notation for 2-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-2-(6-methoxypyridazin-3-yl)acetamide?
The canonical SMILES for 2-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-2-(6-methoxypyridazin-3-yl)acetamide is COc1ccc(C(C(N)=O)c2ccc(F)c(-c3ncnc4cc(N5CCOCC5)ccc34)c2)nn1.
What is the InChIKey of 2-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-2-(6-methoxypyridazin-3-yl)acetamide?
The InChIKey is ISTYTDDGDVSFKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN6O3/c1-34-22-7-6-20(30-31-22)23(25(27)33)15-2-5-19(26)18(12-15)24-17-4-3-16(13-21(17)28-14-29-24)32-8-10-35-11-9-32/h2-7,12-14,23H,8-11H2,1H3,(H2,27,33).
What are the key properties of 2-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-2-(6-methoxypyridazin-3-yl)acetamide?
2-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-2-(6-methoxypyridazin-3-yl)acetamide has a molecular weight of 474.50 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-2-(6-methoxypyridazin-3-yl)acetamide is sourced from PubChem (CID 118954945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).