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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Related Compounds

4-[4-[4-Chloro-2-fluoro-5-[1-(6-methoxypyridazin-3-yl)cyclopropyl]phenyl]quinazolin-7-yl]morpholine
CID 160810084
2-[4-[[6-fluoro-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]phenyl]-N,N-dimethylacetamide
CID 163290728
2-[4-[[6-fluoro-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]phenyl]acetamide
CID 163290881
2-[4-[[5-amino-6-fluoro-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]phenyl]-2,2-difluoro-N-methylacetamide
CID 163290900
2-[4-[[5-amino-6-fluoro-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]phenyl]-N-methylacetamide
CID 163290942
(2R)-2-[4-[[6-fluoro-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]phenyl]-N-methylpropanamide
CID 164514608
(2S)-2-[4-[[6-fluoro-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]phenyl]-N-methylpropanamide
CID 164514607
US10172859, Example 74
CID 86292267
US10172859, Example 121
CID 117696306
US10172859, Example 319
CID 117696606
US10172859, Example 255
CID 117696697
US10172859, Example 71
CID 117711812

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).