4-[(spiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-ylideneamino)methyl]benzonitrile

C22H23N3 — CID 159775333

IUPAC4-[(spiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-ylideneamino)methyl]benzonitrile
SMILESN#Cc1ccc(C/N=C2\Nc3ccccc3CC23CCCCC3)cc1
InChIInChI=1S/C22H23N3/c23-15-17-8-10-18(11-9-17)16-24-21-22(12-4-1-5-13-22)14-19-6-2-3-7-20(19)25-21/h2-3,6-11H,1,4-5,12-14,16H2,(H,24,25)
InChIKeyNGQUVAZUSQCSOR-UHFFFAOYSA-N
MW329.45 g/mol
LogP5.08
Rot. Bonds2

About 4-[(spiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-ylideneamino)methyl]benzonitrile

4-[(spiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-ylideneamino)methyl]benzonitrile (PubChem CID 159775333) has the molecular formula C22H23N3 and a molecular weight of 329.45 g/mol. Its IUPAC name is 4-[(spiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-ylideneamino)methyl]benzonitrile.

Molecular Properties

Compound Name4-[(spiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-ylideneamino)methyl]benzonitrile
PubChem CID159775333
Molecular FormulaC22H23N3
Molecular Weight329.45 g/mol
Exact Mass329.19
IUPAC Name4-[(spiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-ylideneamino)methyl]benzonitrile
SMILESN#Cc1ccc(C/N=C2\Nc3ccccc3CC23CCCCC3)cc1
InChIInChI=1S/C22H23N3/c23-15-17-8-10-18(11-9-17)16-24-21-22(12-4-1-5-13-22)14-19-6-2-3-7-20(19)25-21/h2-3,6-11H,1,4-5,12-14,16H2,(H,24,25)
InChIKeyNGQUVAZUSQCSOR-UHFFFAOYSA-N
XLogP5.08
TPSA48.18 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.45
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(spiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-ylideneamino)methyl]benzonitrile?
The IUPAC name of 4-[(spiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-ylideneamino)methyl]benzonitrile (CID 159775333) is 4-[(spiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-ylideneamino)methyl]benzonitrile.
What is the SMILES notation for 4-[(spiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-ylideneamino)methyl]benzonitrile?
The canonical SMILES for 4-[(spiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-ylideneamino)methyl]benzonitrile is N#Cc1ccc(C/N=C2\Nc3ccccc3CC23CCCCC3)cc1.
What is the InChIKey of 4-[(spiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-ylideneamino)methyl]benzonitrile?
The InChIKey is NGQUVAZUSQCSOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3/c23-15-17-8-10-18(11-9-17)16-24-21-22(12-4-1-5-13-22)14-19-6-2-3-7-20(19)25-21/h2-3,6-11H,1,4-5,12-14,16H2,(H,24,25).
What are the key properties of 4-[(spiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-ylideneamino)methyl]benzonitrile?
4-[(spiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-ylideneamino)methyl]benzonitrile has a molecular weight of 329.45 g/mol, XLogP of 5.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(spiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-ylideneamino)methyl]benzonitrile is sourced from PubChem (CID 159775333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).