[2-[(6-methyl-3-pyridinyl)oxymethyl]morpholin-4-yl]-[5-(2-phenylethynyl)furan-2-yl]methanone

C24H22N2O4 — CID 5003545

IUPAC[2-[(6-methyl-3-pyridinyl)oxymethyl]morpholin-4-yl]-[5-(2-phenylethynyl)furan-2-yl]methanone
SMILESCc1ccc(OCC2CN(C(=O)c3ccc(C#Cc4ccccc4)o3)CCO2)cn1
InChIInChI=1S/C24H22N2O4/c1-18-7-9-21(15-25-18)29-17-22-16-26(13-14-28-22)24(27)23-12-11-20(30-23)10-8-19-5-3-2-4-6-19/h2-7,9,11-12,15,22H,13-14,16-17H2,1H3
InChIKeyKLAZQCUOQXRRRT-UHFFFAOYSA-N
MW402.45 g/mol
LogP3.30
Rot. Bonds4

About [2-[(6-methyl-3-pyridinyl)oxymethyl]morpholin-4-yl]-[5-(2-phenylethynyl)furan-2-yl]methanone

[2-[(6-methyl-3-pyridinyl)oxymethyl]morpholin-4-yl]-[5-(2-phenylethynyl)furan-2-yl]methanone (PubChem CID 5003545) has the molecular formula C24H22N2O4 and a molecular weight of 402.45 g/mol. Its IUPAC name is [2-[(6-methyl-3-pyridinyl)oxymethyl]morpholin-4-yl]-[5-(2-phenylethynyl)furan-2-yl]methanone.

Molecular Properties

Compound Name[2-[(6-methyl-3-pyridinyl)oxymethyl]morpholin-4-yl]-[5-(2-phenylethynyl)furan-2-yl]methanone
PubChem CID5003545
Molecular FormulaC24H22N2O4
Molecular Weight402.45 g/mol
Exact Mass402.16
IUPAC Name[2-[(6-methyl-3-pyridinyl)oxymethyl]morpholin-4-yl]-[5-(2-phenylethynyl)furan-2-yl]methanone
SMILESCc1ccc(OCC2CN(C(=O)c3ccc(C#Cc4ccccc4)o3)CCO2)cn1
InChIInChI=1S/C24H22N2O4/c1-18-7-9-21(15-25-18)29-17-22-16-26(13-14-28-22)24(27)23-12-11-20(30-23)10-8-19-5-3-2-4-6-19/h2-7,9,11-12,15,22H,13-14,16-17H2,1H3
InChIKeyKLAZQCUOQXRRRT-UHFFFAOYSA-N
XLogP3.30
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [2-[(6-methyl-3-pyridinyl)oxymethyl]morpholin-4-yl]-[5-(2-phenylethynyl)furan-2-yl]methanone with MolForge

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Related Compounds

[5-(2-phenylethynyl)furan-2-yl]-[2-(quinazolin-4-yloxymethyl)morpholin-4-yl]methanone
CID 5008151
(2-fluoro-3-pyridinyl)-[2-[(6-methyl-3-pyridinyl)oxymethyl]morpholin-4-yl]methanone
CID 5016333
(3-methyl-1H-inden-2-yl)-[2-[(6-methyl-3-pyridinyl)oxymethyl]morpholin-4-yl]methanone
CID 3344780
N-methyl-N-[2-[2-[(6-methyl-3-pyridinyl)oxymethyl]morpholin-4-yl]-2-oxoethyl]benzenesulfonamide
CID 3826695
4-[2-[2-[(6-methyl-3-pyridinyl)oxymethyl]morpholin-4-yl]-2-oxoethyl]-1,4-benzothiazin-3-one
CID 3782827
(3-chloro-4-methylsulfonylthiophen-2-yl)-[2-[(6-methyl-3-pyridinyl)oxymethyl]morpholin-4-yl]methanone
CID 3856605
[2-[(4-fluorophenoxy)methyl]morpholin-4-yl]-phenylmethanone
CID 46041108
1-[2-[(4-methoxyphenoxy)methyl]morpholin-4-yl]-2-phenylethanone
CID 46041088
(2-methylcyclohexa-2,5-dien-1-yl)-[2-(phenoxymethyl)morpholin-4-yl]methanone
CID 46100133
[2-[(4-methoxyphenoxy)methyl]morpholin-4-yl]-(4-methylphenyl)methanone
CID 46041087
(6-bromo-2-pyridinyl)-[2-[(4-methylphenoxy)methyl]morpholin-4-yl]methanone
CID 46100358
1H-indazol-3-yl-[2-(phenoxymethyl)morpholin-4-yl]methanone
CID 170858480

Frequently Asked Questions

What is the IUPAC name of [2-[(6-methyl-3-pyridinyl)oxymethyl]morpholin-4-yl]-[5-(2-phenylethynyl)furan-2-yl]methanone?
The IUPAC name of [2-[(6-methyl-3-pyridinyl)oxymethyl]morpholin-4-yl]-[5-(2-phenylethynyl)furan-2-yl]methanone (CID 5003545) is [2-[(6-methyl-3-pyridinyl)oxymethyl]morpholin-4-yl]-[5-(2-phenylethynyl)furan-2-yl]methanone.
What is the SMILES notation for [2-[(6-methyl-3-pyridinyl)oxymethyl]morpholin-4-yl]-[5-(2-phenylethynyl)furan-2-yl]methanone?
The canonical SMILES for [2-[(6-methyl-3-pyridinyl)oxymethyl]morpholin-4-yl]-[5-(2-phenylethynyl)furan-2-yl]methanone is Cc1ccc(OCC2CN(C(=O)c3ccc(C#Cc4ccccc4)o3)CCO2)cn1.
What is the InChIKey of [2-[(6-methyl-3-pyridinyl)oxymethyl]morpholin-4-yl]-[5-(2-phenylethynyl)furan-2-yl]methanone?
The InChIKey is KLAZQCUOQXRRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O4/c1-18-7-9-21(15-25-18)29-17-22-16-26(13-14-28-22)24(27)23-12-11-20(30-23)10-8-19-5-3-2-4-6-19/h2-7,9,11-12,15,22H,13-14,16-17H2,1H3.
What are the key properties of [2-[(6-methyl-3-pyridinyl)oxymethyl]morpholin-4-yl]-[5-(2-phenylethynyl)furan-2-yl]methanone?
[2-[(6-methyl-3-pyridinyl)oxymethyl]morpholin-4-yl]-[5-(2-phenylethynyl)furan-2-yl]methanone has a molecular weight of 402.45 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(6-methyl-3-pyridinyl)oxymethyl]morpholin-4-yl]-[5-(2-phenylethynyl)furan-2-yl]methanone is sourced from PubChem (CID 5003545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).