3-[1-[4-(1-methyl-2-oxo-4-pyridinyl)phenyl]ethyl]spiro[1,3-oxazinane-6,4'-2,3-dihydrochromene]-2-one

C26H26N2O4 — CID 72710160

IUPAC3-[1-[4-(1-methyl-2-oxo-4-pyridinyl)phenyl]ethyl]spiro[1,3-oxazinane-6,4'-2,3-dihydrochromene]-2-one
SMILESCC(c1ccc(-c2ccn(C)c(=O)c2)cc1)N1CCC2(CCOc3ccccc32)OC1=O
InChIInChI=1S/C26H26N2O4/c1-18(19-7-9-20(10-8-19)21-11-14-27(2)24(29)17-21)28-15-12-26(32-25(28)30)13-16-31-23-6-4-3-5-22(23)26/h3-11,14,17-18H,12-13,15-16H2,1-2H3
InChIKeyXZSOIFJCPRBYSU-UHFFFAOYSA-N
MW430.50 g/mol
LogP4.63
Rot. Bonds3

About 3-[1-[4-(1-methyl-2-oxo-4-pyridinyl)phenyl]ethyl]spiro[1,3-oxazinane-6,4'-2,3-dihydrochromene]-2-one

3-[1-[4-(1-methyl-2-oxo-4-pyridinyl)phenyl]ethyl]spiro[1,3-oxazinane-6,4'-2,3-dihydrochromene]-2-one (PubChem CID 72710160) has the molecular formula C26H26N2O4 and a molecular weight of 430.50 g/mol. Its IUPAC name is 3-[1-[4-(1-methyl-2-oxo-4-pyridinyl)phenyl]ethyl]spiro[1,3-oxazinane-6,4'-2,3-dihydrochromene]-2-one.

Molecular Properties

Compound Name3-[1-[4-(1-methyl-2-oxo-4-pyridinyl)phenyl]ethyl]spiro[1,3-oxazinane-6,4'-2,3-dihydrochromene]-2-one
PubChem CID72710160
Molecular FormulaC26H26N2O4
Molecular Weight430.50 g/mol
Exact Mass430.19
IUPAC Name3-[1-[4-(1-methyl-2-oxo-4-pyridinyl)phenyl]ethyl]spiro[1,3-oxazinane-6,4'-2,3-dihydrochromene]-2-one
SMILESCC(c1ccc(-c2ccn(C)c(=O)c2)cc1)N1CCC2(CCOc3ccccc32)OC1=O
InChIInChI=1S/C26H26N2O4/c1-18(19-7-9-20(10-8-19)21-11-14-27(2)24(29)17-21)28-15-12-26(32-25(28)30)13-16-31-23-6-4-3-5-22(23)26/h3-11,14,17-18H,12-13,15-16H2,1-2H3
InChIKeyXZSOIFJCPRBYSU-UHFFFAOYSA-N
XLogP4.63
TPSA60.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.50
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[1-[4-(1-methyl-2-oxo-4-pyridinyl)phenyl]ethyl]spiro[1,3-oxazinane-6,4'-2,3-dihydrochromene]-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[1-[4-(1-methyl-2-oxo-4-pyridinyl)phenyl]ethyl]spiro[1,3-oxazinane-6,4'-2,3-dihydrochromene]-2-one?
The IUPAC name of 3-[1-[4-(1-methyl-2-oxo-4-pyridinyl)phenyl]ethyl]spiro[1,3-oxazinane-6,4'-2,3-dihydrochromene]-2-one (CID 72710160) is 3-[1-[4-(1-methyl-2-oxo-4-pyridinyl)phenyl]ethyl]spiro[1,3-oxazinane-6,4'-2,3-dihydrochromene]-2-one.
What is the SMILES notation for 3-[1-[4-(1-methyl-2-oxo-4-pyridinyl)phenyl]ethyl]spiro[1,3-oxazinane-6,4'-2,3-dihydrochromene]-2-one?
The canonical SMILES for 3-[1-[4-(1-methyl-2-oxo-4-pyridinyl)phenyl]ethyl]spiro[1,3-oxazinane-6,4'-2,3-dihydrochromene]-2-one is CC(c1ccc(-c2ccn(C)c(=O)c2)cc1)N1CCC2(CCOc3ccccc32)OC1=O.
What is the InChIKey of 3-[1-[4-(1-methyl-2-oxo-4-pyridinyl)phenyl]ethyl]spiro[1,3-oxazinane-6,4'-2,3-dihydrochromene]-2-one?
The InChIKey is XZSOIFJCPRBYSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O4/c1-18(19-7-9-20(10-8-19)21-11-14-27(2)24(29)17-21)28-15-12-26(32-25(28)30)13-16-31-23-6-4-3-5-22(23)26/h3-11,14,17-18H,12-13,15-16H2,1-2H3.
What are the key properties of 3-[1-[4-(1-methyl-2-oxo-4-pyridinyl)phenyl]ethyl]spiro[1,3-oxazinane-6,4'-2,3-dihydrochromene]-2-one?
3-[1-[4-(1-methyl-2-oxo-4-pyridinyl)phenyl]ethyl]spiro[1,3-oxazinane-6,4'-2,3-dihydrochromene]-2-one has a molecular weight of 430.50 g/mol, XLogP of 4.63, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[4-(1-methyl-2-oxo-4-pyridinyl)phenyl]ethyl]spiro[1,3-oxazinane-6,4'-2,3-dihydrochromene]-2-one is sourced from PubChem (CID 72710160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).