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

C26H26N2O2 — CID 149046567

IUPACN-[(2-phenoxyphenyl)methyl]spiro[1,4-dihydroquinoline-3,4'-oxane]-2-imine
SMILESc1ccc(Oc2ccccc2C/N=C2\Nc3ccccc3CC23CCOCC3)cc1
InChIInChI=1S/C26H26N2O2/c1-2-10-22(11-3-1)30-24-13-7-5-9-21(24)19-27-25-26(14-16-29-17-15-26)18-20-8-4-6-12-23(20)28-25/h1-13H,14-19H2,(H,27,28)
InChIKeyQISCDMBJGYLHGU-UHFFFAOYSA-N
MW398.51 g/mol
LogP5.84
Rot. Bonds4

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

N-[(2-phenoxyphenyl)methyl]spiro[1,4-dihydroquinoline-3,4'-oxane]-2-imine (PubChem CID 149046567) has the molecular formula C26H26N2O2 and a molecular weight of 398.51 g/mol. Its IUPAC name is N-[(2-phenoxyphenyl)methyl]spiro[1,4-dihydroquinoline-3,4'-oxane]-2-imine.

Molecular Properties

Compound NameN-[(2-phenoxyphenyl)methyl]spiro[1,4-dihydroquinoline-3,4'-oxane]-2-imine
PubChem CID149046567
Molecular FormulaC26H26N2O2
Molecular Weight398.51 g/mol
Exact Mass398.20
IUPAC NameN-[(2-phenoxyphenyl)methyl]spiro[1,4-dihydroquinoline-3,4'-oxane]-2-imine
SMILESc1ccc(Oc2ccccc2C/N=C2\Nc3ccccc3CC23CCOCC3)cc1
InChIInChI=1S/C26H26N2O2/c1-2-10-22(11-3-1)30-24-13-7-5-9-21(24)19-27-25-26(14-16-29-17-15-26)18-20-8-4-6-12-23(20)28-25/h1-13H,14-19H2,(H,27,28)
InChIKeyQISCDMBJGYLHGU-UHFFFAOYSA-N
XLogP5.84
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.51
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-2-[(spiro[1,4-dihydroquinoline-3,4'-oxane]-2-ylideneamino)methyl]benzamide
CID 153182010
N-[(4-chloro-3-methylphenyl)methyl]spiro[1,4-dihydroquinoline-3,4'-oxane]-2-imine
CID 161018440
N-[(2,3-dichlorophenyl)methyl]spiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-imine
CID 160811986
N-[(2-chlorophenyl)methyl]-1'-methylspiro[1,4-dihydroquinoline-3,4'-piperidine]-2-imine
CID 148619189
N,N-dimethyl-2-[(spiro[1,4-dihydroquinoline-3,4'-thiane]-2-ylideneamino)methyl]benzamide
CID 147873972
4-[(spiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-ylideneamino)methyl]benzonitrile
CID 159775333
N-[(2-methoxyphenyl)methyl]-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136819457
N-[(3-chlorophenyl)methyl]-4'-ethylspiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-imine
CID 147701031
molecular nitrogen;1-phenoxy-2-prop-2-enylbenzene
CID 70452460
N-(furan-2-ylmethyl)-1',6-dimethylspiro[1,4-dihydropyrrolo[3,4-b]pyridine-3,4'-piperidine]-2-imine
CID 157193126
1-amino-N-[2-[(3-chlorophenyl)methylimino]spiro[1,4-dihydroquinoline-3,4'-cyclohexane]-1'-yl]methanesulfonamide
CID 149154308
2-[(3-chlorophenyl)methylimino]-N-methylspiro[1,4-dihydroquinoline-3,4'-oxane]-8-carboxamide
CID 148774314

Frequently Asked Questions

What is the IUPAC name of N-[(2-phenoxyphenyl)methyl]spiro[1,4-dihydroquinoline-3,4'-oxane]-2-imine?
The IUPAC name of N-[(2-phenoxyphenyl)methyl]spiro[1,4-dihydroquinoline-3,4'-oxane]-2-imine (CID 149046567) is N-[(2-phenoxyphenyl)methyl]spiro[1,4-dihydroquinoline-3,4'-oxane]-2-imine.
What is the SMILES notation for N-[(2-phenoxyphenyl)methyl]spiro[1,4-dihydroquinoline-3,4'-oxane]-2-imine?
The canonical SMILES for N-[(2-phenoxyphenyl)methyl]spiro[1,4-dihydroquinoline-3,4'-oxane]-2-imine is c1ccc(Oc2ccccc2C/N=C2\Nc3ccccc3CC23CCOCC3)cc1.
What is the InChIKey of N-[(2-phenoxyphenyl)methyl]spiro[1,4-dihydroquinoline-3,4'-oxane]-2-imine?
The InChIKey is QISCDMBJGYLHGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O2/c1-2-10-22(11-3-1)30-24-13-7-5-9-21(24)19-27-25-26(14-16-29-17-15-26)18-20-8-4-6-12-23(20)28-25/h1-13H,14-19H2,(H,27,28).
What are the key properties of N-[(2-phenoxyphenyl)methyl]spiro[1,4-dihydroquinoline-3,4'-oxane]-2-imine?
N-[(2-phenoxyphenyl)methyl]spiro[1,4-dihydroquinoline-3,4'-oxane]-2-imine has a molecular weight of 398.51 g/mol, XLogP of 5.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-phenoxyphenyl)methyl]spiro[1,4-dihydroquinoline-3,4'-oxane]-2-imine is sourced from PubChem (CID 149046567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).