2-oxo-6-(4-phenylmethoxyphenyl)spiro[1,4-dihydroquinoline-3,3'-pyrrolidine]-1'-carbonitrile

C26H23N3O2 — CID 137378561

IUPAC2-oxo-6-(4-phenylmethoxyphenyl)spiro[1,4-dihydroquinoline-3,3'-pyrrolidine]-1'-carbonitrile
SMILESN#CN1CCC2(Cc3cc(-c4ccc(OCc5ccccc5)cc4)ccc3NC2=O)C1
InChIInChI=1S/C26H23N3O2/c27-18-29-13-12-26(17-29)15-22-14-21(8-11-24(22)28-25(26)30)20-6-9-23(10-7-20)31-16-19-4-2-1-3-5-19/h1-11,14H,12-13,15-17H2,(H,28,30)
InChIKeyZEDBVTZEWNUZIU-UHFFFAOYSA-N
MW409.49 g/mol
LogP4.60
Rot. Bonds4

About 2-oxo-6-(4-phenylmethoxyphenyl)spiro[1,4-dihydroquinoline-3,3'-pyrrolidine]-1'-carbonitrile

2-oxo-6-(4-phenylmethoxyphenyl)spiro[1,4-dihydroquinoline-3,3'-pyrrolidine]-1'-carbonitrile (PubChem CID 137378561) has the molecular formula C26H23N3O2 and a molecular weight of 409.49 g/mol. Its IUPAC name is 2-oxo-6-(4-phenylmethoxyphenyl)spiro[1,4-dihydroquinoline-3,3'-pyrrolidine]-1'-carbonitrile.

Molecular Properties

Compound Name2-oxo-6-(4-phenylmethoxyphenyl)spiro[1,4-dihydroquinoline-3,3'-pyrrolidine]-1'-carbonitrile
PubChem CID137378561
Molecular FormulaC26H23N3O2
Molecular Weight409.49 g/mol
Exact Mass409.18
IUPAC Name2-oxo-6-(4-phenylmethoxyphenyl)spiro[1,4-dihydroquinoline-3,3'-pyrrolidine]-1'-carbonitrile
SMILESN#CN1CCC2(Cc3cc(-c4ccc(OCc5ccccc5)cc4)ccc3NC2=O)C1
InChIInChI=1S/C26H23N3O2/c27-18-29-13-12-26(17-29)15-22-14-21(8-11-24(22)28-25(26)30)20-6-9-23(10-7-20)31-16-19-4-2-1-3-5-19/h1-11,14H,12-13,15-17H2,(H,28,30)
InChIKeyZEDBVTZEWNUZIU-UHFFFAOYSA-N
XLogP4.60
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

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Related Compounds

5-(1'-cyano-2-oxospiro[1,4-dihydroquinoline-3,3'-pyrrolidine]-6-yl)-N-methylpyridine-2-carboxamide
CID 137378578
tert-butyl 5-(4-phenylmethoxyphenyl)-2,3-dihydroindole-1-carboxylate
CID 58020909
4-[(4-phenylphenoxy)methyl]benzonitrile
CID 7919523
2-amino-6-oxo-4-(4-phenylmethoxyphenyl)-1H-pyridine-3,5-dicarbonitrile
CID 169393056
7-oxo-5-(4-phenylmethoxyphenyl)-2,4-dihydro-1H-pyrazolo[1,5-a]pyrimidine-2-carbonitrile
CID 143439341
2-fluoro-4-(4-hydroxyphenyl)benzonitrile;2-fluoro-4-(4-phenylmethoxyphenyl)benzonitrile
CID 23173787
3-methyl-5-(4-phenylmethoxyphenyl)-1H-pyridin-2-one
CID 169490402
1,3-diphenylbenzene;4-phenylmethoxyphenol
CID 70041760
5-(1-fluorocyclopropyl)-3-(4-phenylmethoxyphenyl)-1H-1,2,4-triazole
CID 146512227
6-(4-phenylmethoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 169410362
2-[3-chloro-5-(4-phenylmethoxyphenyl)phenyl]acetonitrile
CID 175670062
4-methyl-7-phenylmethoxy-1,3-dihydro-1,4-benzodiazepine-2,5-dione
CID 70496713

Frequently Asked Questions

What is the IUPAC name of 2-oxo-6-(4-phenylmethoxyphenyl)spiro[1,4-dihydroquinoline-3,3'-pyrrolidine]-1'-carbonitrile?
The IUPAC name of 2-oxo-6-(4-phenylmethoxyphenyl)spiro[1,4-dihydroquinoline-3,3'-pyrrolidine]-1'-carbonitrile (CID 137378561) is 2-oxo-6-(4-phenylmethoxyphenyl)spiro[1,4-dihydroquinoline-3,3'-pyrrolidine]-1'-carbonitrile.
What is the SMILES notation for 2-oxo-6-(4-phenylmethoxyphenyl)spiro[1,4-dihydroquinoline-3,3'-pyrrolidine]-1'-carbonitrile?
The canonical SMILES for 2-oxo-6-(4-phenylmethoxyphenyl)spiro[1,4-dihydroquinoline-3,3'-pyrrolidine]-1'-carbonitrile is N#CN1CCC2(Cc3cc(-c4ccc(OCc5ccccc5)cc4)ccc3NC2=O)C1.
What is the InChIKey of 2-oxo-6-(4-phenylmethoxyphenyl)spiro[1,4-dihydroquinoline-3,3'-pyrrolidine]-1'-carbonitrile?
The InChIKey is ZEDBVTZEWNUZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O2/c27-18-29-13-12-26(17-29)15-22-14-21(8-11-24(22)28-25(26)30)20-6-9-23(10-7-20)31-16-19-4-2-1-3-5-19/h1-11,14H,12-13,15-17H2,(H,28,30).
What are the key properties of 2-oxo-6-(4-phenylmethoxyphenyl)spiro[1,4-dihydroquinoline-3,3'-pyrrolidine]-1'-carbonitrile?
2-oxo-6-(4-phenylmethoxyphenyl)spiro[1,4-dihydroquinoline-3,3'-pyrrolidine]-1'-carbonitrile has a molecular weight of 409.49 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-6-(4-phenylmethoxyphenyl)spiro[1,4-dihydroquinoline-3,3'-pyrrolidine]-1'-carbonitrile is sourced from PubChem (CID 137378561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).