1'-(4-methoxyphenyl)-6'-(4-methoxyphenyl)imino-2,2'-dioxospiro[1H-indole-3,4'-piperidine]-3'-carbonitrile

C27H22N4O4 — CID 15366590

IUPAC1'-(4-methoxyphenyl)-6'-(4-methoxyphenyl)imino-2,2'-dioxospiro[1H-indole-3,4'-piperidine]-3'-carbonitrile
SMILESCOc1ccc(/N=C2\CC3(C(=O)Nc4ccccc43)C(C#N)C(=O)N2c2ccc(OC)cc2)cc1
InChIInChI=1S/C27H22N4O4/c1-34-19-11-7-17(8-12-19)29-24-15-27(21-5-3-4-6-23(21)30-26(27)33)22(16-28)25(32)31(24)18-9-13-20(35-2)14-10-18/h3-14,22H,15H2,1-2H3,(H,30,33)/b29-24+
InChIKeyXZHUKMGNVNONRV-RMLRFSFXSA-N
MW466.50 g/mol
LogP4.20
Rot. Bonds4

About 1'-(4-methoxyphenyl)-6'-(4-methoxyphenyl)imino-2,2'-dioxospiro[1H-indole-3,4'-piperidine]-3'-carbonitrile

1'-(4-methoxyphenyl)-6'-(4-methoxyphenyl)imino-2,2'-dioxospiro[1H-indole-3,4'-piperidine]-3'-carbonitrile (PubChem CID 15366590) has the molecular formula C27H22N4O4 and a molecular weight of 466.50 g/mol. Its IUPAC name is 1'-(4-methoxyphenyl)-6'-(4-methoxyphenyl)imino-2,2'-dioxospiro[1H-indole-3,4'-piperidine]-3'-carbonitrile.

Molecular Properties

Compound Name1'-(4-methoxyphenyl)-6'-(4-methoxyphenyl)imino-2,2'-dioxospiro[1H-indole-3,4'-piperidine]-3'-carbonitrile
PubChem CID15366590
Molecular FormulaC27H22N4O4
Molecular Weight466.50 g/mol
Exact Mass466.16
IUPAC Name1'-(4-methoxyphenyl)-6'-(4-methoxyphenyl)imino-2,2'-dioxospiro[1H-indole-3,4'-piperidine]-3'-carbonitrile
SMILESCOc1ccc(/N=C2\CC3(C(=O)Nc4ccccc43)C(C#N)C(=O)N2c2ccc(OC)cc2)cc1
InChIInChI=1S/C27H22N4O4/c1-34-19-11-7-17(8-12-19)29-24-15-27(21-5-3-4-6-23(21)30-26(27)33)22(16-28)25(32)31(24)18-9-13-20(35-2)14-10-18/h3-14,22H,15H2,1-2H3,(H,30,33)/b29-24+
InChIKeyXZHUKMGNVNONRV-RMLRFSFXSA-N
XLogP4.20
TPSA104.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.50
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1'-(4-chlorophenyl)-6'-(4-chlorophenyl)imino-2,2'-dioxospiro[1H-indole-3,4'-piperidine]-3'-carbonitrile
CID 15366589
2'-(4-methoxyphenyl)spiro[1H-indole-3,12'-2-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),3(11),4,6,8,15,17,19-octaene]-2,10',14'-trione
CID 101495320
(2R,5S)-3-(4-methoxyphenyl)-5-methylspiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
CID 902536
6-amino-1-(4-methoxyphenyl)-2-(4-methoxyphenyl)imino-4-phenyl-3,4-dihydropyridine-5-carbonitrile
CID 15366597
CID 139226618
CID 139226618
(1R,3R,3aR,6aR)-5-(4-methoxyphenyl)-1-propan-2-ylspiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-2',4,6-trione
CID 162874995
(3S,3'R)-2'-imino-1'-[(4-methoxyphenyl)methyl]-2-oxospiro[1H-indole-3,4'-5,6,7,8-tetrahydro-3H-quinoline]-3'-carbonitrile
CID 98588228
2'-imino-1'-[2-(4-methoxyphenyl)ethyl]-2-oxospiro[1H-indole-3,4'-5,6,7,8-tetrahydro-3H-quinoline]-3'-carbonitrile
CID 91962311
(3R,3'S)-2'-imino-1'-[2-(4-methoxyphenyl)ethyl]-2-oxospiro[1H-indole-3,4'-5,6,7,8-tetrahydro-3H-quinoline]-3'-carbonitrile
CID 98882099
(1S,3R,3aR,6aR)-1-[(1R)-1-hydroxyethyl]-5-(4-methoxyphenyl)spiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-2',4,6-trione
CID 163073678
1'-(4-methoxyphenyl)-2'',2'',3'-trimethyldispiro[indoline-3,2'-pyrrolidine-4',5''-[1,3]dioxane]-2,4'',6''-trione
CID 166624788
(3R,3'R)-3'-[(S)-hydroxy-[(2S,3R)-1-(4-methoxyphenyl)-4-oxo-3-phenylazetidin-2-yl]methyl]-1'-methyl-2-oxospiro[1H-indole-3,2'-pyrrolidine]-3'-carbonitrile
CID 71662860

Frequently Asked Questions

What is the IUPAC name of 1'-(4-methoxyphenyl)-6'-(4-methoxyphenyl)imino-2,2'-dioxospiro[1H-indole-3,4'-piperidine]-3'-carbonitrile?
The IUPAC name of 1'-(4-methoxyphenyl)-6'-(4-methoxyphenyl)imino-2,2'-dioxospiro[1H-indole-3,4'-piperidine]-3'-carbonitrile (CID 15366590) is 1'-(4-methoxyphenyl)-6'-(4-methoxyphenyl)imino-2,2'-dioxospiro[1H-indole-3,4'-piperidine]-3'-carbonitrile.
What is the SMILES notation for 1'-(4-methoxyphenyl)-6'-(4-methoxyphenyl)imino-2,2'-dioxospiro[1H-indole-3,4'-piperidine]-3'-carbonitrile?
The canonical SMILES for 1'-(4-methoxyphenyl)-6'-(4-methoxyphenyl)imino-2,2'-dioxospiro[1H-indole-3,4'-piperidine]-3'-carbonitrile is COc1ccc(/N=C2\CC3(C(=O)Nc4ccccc43)C(C#N)C(=O)N2c2ccc(OC)cc2)cc1.
What is the InChIKey of 1'-(4-methoxyphenyl)-6'-(4-methoxyphenyl)imino-2,2'-dioxospiro[1H-indole-3,4'-piperidine]-3'-carbonitrile?
The InChIKey is XZHUKMGNVNONRV-RMLRFSFXSA-N. The full InChI is InChI=1S/C27H22N4O4/c1-34-19-11-7-17(8-12-19)29-24-15-27(21-5-3-4-6-23(21)30-26(27)33)22(16-28)25(32)31(24)18-9-13-20(35-2)14-10-18/h3-14,22H,15H2,1-2H3,(H,30,33)/b29-24+.
What are the key properties of 1'-(4-methoxyphenyl)-6'-(4-methoxyphenyl)imino-2,2'-dioxospiro[1H-indole-3,4'-piperidine]-3'-carbonitrile?
1'-(4-methoxyphenyl)-6'-(4-methoxyphenyl)imino-2,2'-dioxospiro[1H-indole-3,4'-piperidine]-3'-carbonitrile has a molecular weight of 466.50 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(4-methoxyphenyl)-6'-(4-methoxyphenyl)imino-2,2'-dioxospiro[1H-indole-3,4'-piperidine]-3'-carbonitrile is sourced from PubChem (CID 15366590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).