2-[2,4-difluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-2-(6-methoxypyridazin-3-yl)acetamide

C25H22F2N6O3 — CID 118954932

IUPAC2-[2,4-difluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-2-(6-methoxypyridazin-3-yl)acetamide
SMILESCOc1ccc(C(C(N)=O)c2cc(-c3ncnc4cc(N5CCOCC5)ccc34)c(F)cc2F)nn1
InChIInChI=1S/C25H22F2N6O3/c1-35-22-5-4-20(31-32-22)23(25(28)34)16-11-17(19(27)12-18(16)26)24-15-3-2-14(10-21(15)29-13-30-24)33-6-8-36-9-7-33/h2-5,10-13,23H,6-9H2,1H3,(H2,28,34)
InChIKeySVGLXBJVNLMNGP-UHFFFAOYSA-N
MW492.49 g/mol
LogP2.83
Rot. Bonds6

About 2-[2,4-difluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-2-(6-methoxypyridazin-3-yl)acetamide

2-[2,4-difluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-2-(6-methoxypyridazin-3-yl)acetamide (PubChem CID 118954932) has the molecular formula C25H22F2N6O3 and a molecular weight of 492.49 g/mol. Its IUPAC name is 2-[2,4-difluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-2-(6-methoxypyridazin-3-yl)acetamide.

Molecular Properties

Compound Name2-[2,4-difluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-2-(6-methoxypyridazin-3-yl)acetamide
PubChem CID118954932
Molecular FormulaC25H22F2N6O3
Molecular Weight492.49 g/mol
Exact Mass492.17
IUPAC Name2-[2,4-difluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-2-(6-methoxypyridazin-3-yl)acetamide
SMILESCOc1ccc(C(C(N)=O)c2cc(-c3ncnc4cc(N5CCOCC5)ccc34)c(F)cc2F)nn1
InChIInChI=1S/C25H22F2N6O3/c1-35-22-5-4-20(31-32-22)23(25(28)34)16-11-17(19(27)12-18(16)26)24-15-3-2-14(10-21(15)29-13-30-24)33-6-8-36-9-7-33/h2-5,10-13,23H,6-9H2,1H3,(H2,28,34)
InChIKeySVGLXBJVNLMNGP-UHFFFAOYSA-N
XLogP2.83
TPSA116.35 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.49
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[2,4-difluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-2-(6-methoxypyridazin-3-yl)acetamide?
The IUPAC name of 2-[2,4-difluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-2-(6-methoxypyridazin-3-yl)acetamide (CID 118954932) is 2-[2,4-difluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-2-(6-methoxypyridazin-3-yl)acetamide.
What is the SMILES notation for 2-[2,4-difluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-2-(6-methoxypyridazin-3-yl)acetamide?
The canonical SMILES for 2-[2,4-difluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-2-(6-methoxypyridazin-3-yl)acetamide is COc1ccc(C(C(N)=O)c2cc(-c3ncnc4cc(N5CCOCC5)ccc34)c(F)cc2F)nn1.
What is the InChIKey of 2-[2,4-difluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-2-(6-methoxypyridazin-3-yl)acetamide?
The InChIKey is SVGLXBJVNLMNGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F2N6O3/c1-35-22-5-4-20(31-32-22)23(25(28)34)16-11-17(19(27)12-18(16)26)24-15-3-2-14(10-21(15)29-13-30-24)33-6-8-36-9-7-33/h2-5,10-13,23H,6-9H2,1H3,(H2,28,34).
What are the key properties of 2-[2,4-difluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-2-(6-methoxypyridazin-3-yl)acetamide?
2-[2,4-difluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-2-(6-methoxypyridazin-3-yl)acetamide has a molecular weight of 492.49 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,4-difluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-2-(6-methoxypyridazin-3-yl)acetamide is sourced from PubChem (CID 118954932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).