2-[2,4-difluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-2-pyridin-2-ylacetaldehyde

C25H20F2N4O2 — CID 135268418

IUPAC2-[2,4-difluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-2-pyridin-2-ylacetaldehyde
SMILESO=CC(c1ccccn1)c1cc(-c2ncnc3cc(N4CCOCC4)ccc23)c(F)cc1F
InChIInChI=1S/C25H20F2N4O2/c26-21-13-22(27)19(12-18(21)20(14-32)23-3-1-2-6-28-23)25-17-5-4-16(11-24(17)29-15-30-25)31-7-9-33-10-8-31/h1-6,11-15,20H,7-10H2
InChIKeyQFUICUDEOMKXLM-UHFFFAOYSA-N
MW446.46 g/mol
LogP4.14
Rot. Bonds5

About 2-[2,4-difluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-2-pyridin-2-ylacetaldehyde

2-[2,4-difluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-2-pyridin-2-ylacetaldehyde (PubChem CID 135268418) has the molecular formula C25H20F2N4O2 and a molecular weight of 446.46 g/mol. Its IUPAC name is 2-[2,4-difluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-2-pyridin-2-ylacetaldehyde.

Molecular Properties

Compound Name2-[2,4-difluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-2-pyridin-2-ylacetaldehyde
PubChem CID135268418
Molecular FormulaC25H20F2N4O2
Molecular Weight446.46 g/mol
Exact Mass446.16
IUPAC Name2-[2,4-difluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-2-pyridin-2-ylacetaldehyde
SMILESO=CC(c1ccccn1)c1cc(-c2ncnc3cc(N4CCOCC4)ccc23)c(F)cc1F
InChIInChI=1S/C25H20F2N4O2/c26-21-13-22(27)19(12-18(21)20(14-32)23-3-1-2-6-28-23)25-17-5-4-16(11-24(17)29-15-30-25)31-7-9-33-10-8-31/h1-6,11-15,20H,7-10H2
InChIKeyQFUICUDEOMKXLM-UHFFFAOYSA-N
XLogP4.14
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.46
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

6-[[2,4-difluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-hydroxymethyl]-2-methylpyridazin-3-one
CID 118954888
[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-pyrazin-2-ylmethanol
CID 118954905
2-[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-2-(3-chloro-2-pyridinyl)acetamide
CID 118954995
2-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-2-(1-propan-2-ylpyrazol-4-yl)acetaldehyde
CID 135268374
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
6-[[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-hydroxymethyl]-2-(2-hydroxyethyl)pyridazin-3-one
CID 118954862
4-[4-[2-fluoro-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]phenyl]quinazolin-7-yl]morpholine
CID 135268460
ethane;[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(3-methylpyridazin-4-yl)methanamine
CID 144744998
[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methanol
CID 118955010
[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-[4-(hydroxymethyl)-1,3-thiazol-2-yl]methanol
CID 118954746
[4-fluoro-2-methyl-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(6-methoxy-4-methylpyridazin-3-yl)methanol
CID 144744982
(4-chloro-5-fluoro-3-pyridinyl)-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol
CID 86294562

Frequently Asked Questions

What is the IUPAC name of 2-[2,4-difluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-2-pyridin-2-ylacetaldehyde?
The IUPAC name of 2-[2,4-difluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-2-pyridin-2-ylacetaldehyde (CID 135268418) is 2-[2,4-difluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-2-pyridin-2-ylacetaldehyde.
What is the SMILES notation for 2-[2,4-difluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-2-pyridin-2-ylacetaldehyde?
The canonical SMILES for 2-[2,4-difluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-2-pyridin-2-ylacetaldehyde is O=CC(c1ccccn1)c1cc(-c2ncnc3cc(N4CCOCC4)ccc23)c(F)cc1F.
What is the InChIKey of 2-[2,4-difluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-2-pyridin-2-ylacetaldehyde?
The InChIKey is QFUICUDEOMKXLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F2N4O2/c26-21-13-22(27)19(12-18(21)20(14-32)23-3-1-2-6-28-23)25-17-5-4-16(11-24(17)29-15-30-25)31-7-9-33-10-8-31/h1-6,11-15,20H,7-10H2.
What are the key properties of 2-[2,4-difluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-2-pyridin-2-ylacetaldehyde?
2-[2,4-difluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-2-pyridin-2-ylacetaldehyde has a molecular weight of 446.46 g/mol, XLogP of 4.14, 5 rotatable bonds, 0 hydrogen bond donors, and 6 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-pyridin-2-ylacetaldehyde is sourced from PubChem (CID 135268418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).