N-methyl-2-[(spiro[1,4-dihydroquinoline-3,4'-oxane]-2-ylideneamino)methyl]benzamide

C22H25N3O2 — CID 153182010

IUPACN-methyl-2-[(spiro[1,4-dihydroquinoline-3,4'-oxane]-2-ylideneamino)methyl]benzamide
SMILESCNC(=O)c1ccccc1C/N=C1\Nc2ccccc2CC12CCOCC2
InChIInChI=1S/C22H25N3O2/c1-23-20(26)18-8-4-2-7-17(18)15-24-21-22(10-12-27-13-11-22)14-16-6-3-5-9-19(16)25-21/h2-9H,10-15H2,1H3,(H,23,26)(H,24,25)
InChIKeyWGIUSEOVJQRTRP-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.41
Rot. Bonds3

About N-methyl-2-[(spiro[1,4-dihydroquinoline-3,4'-oxane]-2-ylideneamino)methyl]benzamide

N-methyl-2-[(spiro[1,4-dihydroquinoline-3,4'-oxane]-2-ylideneamino)methyl]benzamide (PubChem CID 153182010) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-methyl-2-[(spiro[1,4-dihydroquinoline-3,4'-oxane]-2-ylideneamino)methyl]benzamide.

Molecular Properties

Compound NameN-methyl-2-[(spiro[1,4-dihydroquinoline-3,4'-oxane]-2-ylideneamino)methyl]benzamide
PubChem CID153182010
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC NameN-methyl-2-[(spiro[1,4-dihydroquinoline-3,4'-oxane]-2-ylideneamino)methyl]benzamide
SMILESCNC(=O)c1ccccc1C/N=C1\Nc2ccccc2CC12CCOCC2
InChIInChI=1S/C22H25N3O2/c1-23-20(26)18-8-4-2-7-17(18)15-24-21-22(10-12-27-13-11-22)14-16-6-3-5-9-19(16)25-21/h2-9H,10-15H2,1H3,(H,23,26)(H,24,25)
InChIKeyWGIUSEOVJQRTRP-UHFFFAOYSA-N
XLogP3.41
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 N-methyl-2-[(spiro[1,4-dihydroquinoline-3,4'-oxane]-2-ylideneamino)methyl]benzamide?
The IUPAC name of N-methyl-2-[(spiro[1,4-dihydroquinoline-3,4'-oxane]-2-ylideneamino)methyl]benzamide (CID 153182010) is N-methyl-2-[(spiro[1,4-dihydroquinoline-3,4'-oxane]-2-ylideneamino)methyl]benzamide.
What is the SMILES notation for N-methyl-2-[(spiro[1,4-dihydroquinoline-3,4'-oxane]-2-ylideneamino)methyl]benzamide?
The canonical SMILES for N-methyl-2-[(spiro[1,4-dihydroquinoline-3,4'-oxane]-2-ylideneamino)methyl]benzamide is CNC(=O)c1ccccc1C/N=C1\Nc2ccccc2CC12CCOCC2.
What is the InChIKey of N-methyl-2-[(spiro[1,4-dihydroquinoline-3,4'-oxane]-2-ylideneamino)methyl]benzamide?
The InChIKey is WGIUSEOVJQRTRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-23-20(26)18-8-4-2-7-17(18)15-24-21-22(10-12-27-13-11-22)14-16-6-3-5-9-19(16)25-21/h2-9H,10-15H2,1H3,(H,23,26)(H,24,25).
What are the key properties of N-methyl-2-[(spiro[1,4-dihydroquinoline-3,4'-oxane]-2-ylideneamino)methyl]benzamide?
N-methyl-2-[(spiro[1,4-dihydroquinoline-3,4'-oxane]-2-ylideneamino)methyl]benzamide has a molecular weight of 363.46 g/mol, XLogP of 3.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(spiro[1,4-dihydroquinoline-3,4'-oxane]-2-ylideneamino)methyl]benzamide is sourced from PubChem (CID 153182010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).