2-[2,4-difluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-2-pyrrolo[1,2-d][1,2,4]triazin-1-ylacetamide

C26H21F2N7O2 — CID 131997323

IUPAC2-[2,4-difluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-2-pyrrolo[1,2-d][1,2,4]triazin-1-ylacetamide
SMILESNC(=O)C(c1cc(-c2ncnc3cc(N4CCOCC4)ccc23)c(F)cc1F)c1nncn2cccc12
InChIInChI=1S/C26H21F2N7O2/c27-19-12-20(28)18(11-17(19)23(26(29)36)25-22-2-1-5-35(22)14-32-33-25)24-16-4-3-15(10-21(16)30-13-31-24)34-6-8-37-9-7-34/h1-5,10-14,23H,6-9H2,(H2,29,36)
InChIKeyQFPCISYAPZHVQS-UHFFFAOYSA-N
MW501.50 g/mol
LogP3.07
Rot. Bonds5

About 2-[2,4-difluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-2-pyrrolo[1,2-d][1,2,4]triazin-1-ylacetamide

2-[2,4-difluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-2-pyrrolo[1,2-d][1,2,4]triazin-1-ylacetamide (PubChem CID 131997323) has the molecular formula C26H21F2N7O2 and a molecular weight of 501.50 g/mol. Its IUPAC name is 2-[2,4-difluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-2-pyrrolo[1,2-d][1,2,4]triazin-1-ylacetamide.

Molecular Properties

Compound Name2-[2,4-difluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-2-pyrrolo[1,2-d][1,2,4]triazin-1-ylacetamide
PubChem CID131997323
Molecular FormulaC26H21F2N7O2
Molecular Weight501.50 g/mol
Exact Mass501.17
IUPAC Name2-[2,4-difluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-2-pyrrolo[1,2-d][1,2,4]triazin-1-ylacetamide
SMILESNC(=O)C(c1cc(-c2ncnc3cc(N4CCOCC4)ccc23)c(F)cc1F)c1nncn2cccc12
InChIInChI=1S/C26H21F2N7O2/c27-19-12-20(28)18(11-17(19)23(26(29)36)25-22-2-1-5-35(22)14-32-33-25)24-16-4-3-15(10-21(16)30-13-31-24)34-6-8-37-9-7-34/h1-5,10-14,23H,6-9H2,(H2,29,36)
InChIKeyQFPCISYAPZHVQS-UHFFFAOYSA-N
XLogP3.07
TPSA111.53 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.50
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[2,4-difluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-2-pyrrolo[1,2-d][1,2,4]triazin-1-ylacetamide with MolForge

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Related Compounds

2-[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-2-(3-chloro-2-pyridinyl)acetamide
CID 118954995
6-[[2,4-difluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-hydroxymethyl]-2-methylpyridazin-3-one
CID 118954888
2-[2,4-difluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-2-pyridin-2-ylacetaldehyde
CID 135268418
[4-fluoro-2-methyl-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(6-methoxy-4-methylpyridazin-3-yl)methanol
CID 144744982
6-[[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-hydroxymethyl]-2-(2-hydroxyethyl)pyridazin-3-one
CID 118954862
ethane;[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(3-methylpyridazin-4-yl)methanamine
CID 144744998
(4-chloro-5-fluoro-3-pyridinyl)-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol
CID 86294562
[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(4-methoxypyridazin-3-yl)methanol
CID 118954974
[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-[4-(hydroxymethyl)-1,3-thiazol-2-yl]methanol
CID 118954746
[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-pyrazin-2-ylmethanol
CID 118954905
methyl 2-[6-[[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-hydroxymethyl]pyridazin-3-yl]oxyacetate
CID 118954756
4-[4-[2,4-difluoro-5-(imidazo[1,2-a]pyrazin-6-ylmethyl)phenyl]quinazolin-7-yl]morpholine
CID 135268702

Frequently Asked Questions

What is the IUPAC name of 2-[2,4-difluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-2-pyrrolo[1,2-d][1,2,4]triazin-1-ylacetamide?
The IUPAC name of 2-[2,4-difluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-2-pyrrolo[1,2-d][1,2,4]triazin-1-ylacetamide (CID 131997323) is 2-[2,4-difluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-2-pyrrolo[1,2-d][1,2,4]triazin-1-ylacetamide.
What is the SMILES notation for 2-[2,4-difluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-2-pyrrolo[1,2-d][1,2,4]triazin-1-ylacetamide?
The canonical SMILES for 2-[2,4-difluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-2-pyrrolo[1,2-d][1,2,4]triazin-1-ylacetamide is NC(=O)C(c1cc(-c2ncnc3cc(N4CCOCC4)ccc23)c(F)cc1F)c1nncn2cccc12.
What is the InChIKey of 2-[2,4-difluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-2-pyrrolo[1,2-d][1,2,4]triazin-1-ylacetamide?
The InChIKey is QFPCISYAPZHVQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F2N7O2/c27-19-12-20(28)18(11-17(19)23(26(29)36)25-22-2-1-5-35(22)14-32-33-25)24-16-4-3-15(10-21(16)30-13-31-24)34-6-8-37-9-7-34/h1-5,10-14,23H,6-9H2,(H2,29,36).
What are the key properties of 2-[2,4-difluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-2-pyrrolo[1,2-d][1,2,4]triazin-1-ylacetamide?
2-[2,4-difluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-2-pyrrolo[1,2-d][1,2,4]triazin-1-ylacetamide has a molecular weight of 501.50 g/mol, XLogP of 3.07, 5 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-pyrrolo[1,2-d][1,2,4]triazin-1-ylacetamide is sourced from PubChem (CID 131997323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).