[5-(2-phenylethynyl)furan-2-yl]-[2-(quinazolin-4-yloxymethyl)morpholin-4-yl]methanone

C26H21N3O4 — CID 5008151

IUPAC[5-(2-phenylethynyl)furan-2-yl]-[2-(quinazolin-4-yloxymethyl)morpholin-4-yl]methanone
SMILESO=C(c1ccc(C#Cc2ccccc2)o1)N1CCOC(COc2ncnc3ccccc23)C1
InChIInChI=1S/C26H21N3O4/c30-26(24-13-12-20(33-24)11-10-19-6-2-1-3-7-19)29-14-15-31-21(16-29)17-32-25-22-8-4-5-9-23(22)27-18-28-25/h1-9,12-13,18,21H,14-17H2
InChIKeyNZKLTNNHMYEMSA-UHFFFAOYSA-N
MW439.47 g/mol
LogP3.54
Rot. Bonds4

About [5-(2-phenylethynyl)furan-2-yl]-[2-(quinazolin-4-yloxymethyl)morpholin-4-yl]methanone

[5-(2-phenylethynyl)furan-2-yl]-[2-(quinazolin-4-yloxymethyl)morpholin-4-yl]methanone (PubChem CID 5008151) has the molecular formula C26H21N3O4 and a molecular weight of 439.47 g/mol. Its IUPAC name is [5-(2-phenylethynyl)furan-2-yl]-[2-(quinazolin-4-yloxymethyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name[5-(2-phenylethynyl)furan-2-yl]-[2-(quinazolin-4-yloxymethyl)morpholin-4-yl]methanone
PubChem CID5008151
Molecular FormulaC26H21N3O4
Molecular Weight439.47 g/mol
Exact Mass439.15
IUPAC Name[5-(2-phenylethynyl)furan-2-yl]-[2-(quinazolin-4-yloxymethyl)morpholin-4-yl]methanone
SMILESO=C(c1ccc(C#Cc2ccccc2)o1)N1CCOC(COc2ncnc3ccccc23)C1
InChIInChI=1S/C26H21N3O4/c30-26(24-13-12-20(33-24)11-10-19-6-2-1-3-7-19)29-14-15-31-21(16-29)17-32-25-22-8-4-5-9-23(22)27-18-28-25/h1-9,12-13,18,21H,14-17H2
InChIKeyNZKLTNNHMYEMSA-UHFFFAOYSA-N
XLogP3.54
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.47
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [5-(2-phenylethynyl)furan-2-yl]-[2-(quinazolin-4-yloxymethyl)morpholin-4-yl]methanone with MolForge

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Related Compounds

[2-[(6-methyl-3-pyridinyl)oxymethyl]morpholin-4-yl]-[5-(2-phenylethynyl)furan-2-yl]methanone
CID 5003545
4,6-dimethyl-5-[2-(quinazolin-4-yloxymethyl)morpholine-4-carbonyl]pyran-2-one
CID 74224302
(5-butyl-2-pyridinyl)-[2-(quinazolin-4-yloxymethyl)morpholin-4-yl]methanone
CID 23987470
(6-chloro-2H-chromen-3-yl)-[2-(quinazolin-4-yloxymethyl)morpholin-4-yl]methanone
CID 3800574
3-(1,3-benzothiazol-2-ylsulfanyl)-1-[2-(quinazolin-4-yloxymethyl)morpholin-4-yl]propan-1-one
CID 3429619
N-(1,3-benzodioxol-5-ylmethyl)-2-(quinazolin-4-yloxymethyl)morpholine-4-carbothioamide
CID 3372354
3-(3-bromo-4-fluorophenyl)-1-[2-(quinazolin-4-yloxymethyl)morpholin-4-yl]prop-2-en-1-one
CID 3855774
N-[(2-fluorophenyl)methyl]-2-(quinazolin-4-yloxymethyl)morpholine-4-carbothioamide
CID 5016399
2-[4-(3-phenylprop-2-ynoyl)morpholin-2-yl]acetic acid
CID 66433018
1H-indazol-3-yl-[2-(phenoxymethyl)morpholin-4-yl]methanone
CID 170858480
[2-[(4-fluorophenoxy)methyl]morpholin-4-yl]-phenylmethanone
CID 46041108
(2-aminoquinolin-4-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81213722

Frequently Asked Questions

What is the IUPAC name of [5-(2-phenylethynyl)furan-2-yl]-[2-(quinazolin-4-yloxymethyl)morpholin-4-yl]methanone?
The IUPAC name of [5-(2-phenylethynyl)furan-2-yl]-[2-(quinazolin-4-yloxymethyl)morpholin-4-yl]methanone (CID 5008151) is [5-(2-phenylethynyl)furan-2-yl]-[2-(quinazolin-4-yloxymethyl)morpholin-4-yl]methanone.
What is the SMILES notation for [5-(2-phenylethynyl)furan-2-yl]-[2-(quinazolin-4-yloxymethyl)morpholin-4-yl]methanone?
The canonical SMILES for [5-(2-phenylethynyl)furan-2-yl]-[2-(quinazolin-4-yloxymethyl)morpholin-4-yl]methanone is O=C(c1ccc(C#Cc2ccccc2)o1)N1CCOC(COc2ncnc3ccccc23)C1.
What is the InChIKey of [5-(2-phenylethynyl)furan-2-yl]-[2-(quinazolin-4-yloxymethyl)morpholin-4-yl]methanone?
The InChIKey is NZKLTNNHMYEMSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N3O4/c30-26(24-13-12-20(33-24)11-10-19-6-2-1-3-7-19)29-14-15-31-21(16-29)17-32-25-22-8-4-5-9-23(22)27-18-28-25/h1-9,12-13,18,21H,14-17H2.
What are the key properties of [5-(2-phenylethynyl)furan-2-yl]-[2-(quinazolin-4-yloxymethyl)morpholin-4-yl]methanone?
[5-(2-phenylethynyl)furan-2-yl]-[2-(quinazolin-4-yloxymethyl)morpholin-4-yl]methanone has a molecular weight of 439.47 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-phenylethynyl)furan-2-yl]-[2-(quinazolin-4-yloxymethyl)morpholin-4-yl]methanone is sourced from PubChem (CID 5008151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).