N-[(2,6-difluorophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine

C19H19F2N3O — CID 137105510

IUPACN-[(2,6-difluorophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine
SMILESFc1cccc(F)c1C/N=C1\Nc2ccccc2NC12CCOCC2
InChIInChI=1S/C19H19F2N3O/c20-14-4-3-5-15(21)13(14)12-22-18-19(8-10-25-11-9-19)24-17-7-2-1-6-16(17)23-18/h1-7,24H,8-12H2,(H,22,23)
InChIKeyPCBJKACVUWRHML-UHFFFAOYSA-N
MW343.38 g/mol
LogP3.95
Rot. Bonds2

About N-[(2,6-difluorophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine

N-[(2,6-difluorophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine (PubChem CID 137105510) has the molecular formula C19H19F2N3O and a molecular weight of 343.38 g/mol. Its IUPAC name is N-[(2,6-difluorophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine.

Molecular Properties

Compound NameN-[(2,6-difluorophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine
PubChem CID137105510
Molecular FormulaC19H19F2N3O
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC NameN-[(2,6-difluorophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine
SMILESFc1cccc(F)c1C/N=C1\Nc2ccccc2NC12CCOCC2
InChIInChI=1S/C19H19F2N3O/c20-14-4-3-5-15(21)13(14)12-22-18-19(8-10-25-11-9-19)24-17-7-2-1-6-16(17)23-18/h1-7,24H,8-12H2,(H,22,23)
InChIKeyPCBJKACVUWRHML-UHFFFAOYSA-N
XLogP3.95
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-fluorophenyl)methyl]-6,7-dimethylspiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine
CID 136112409
N-[(3-fluorophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine
CID 135735916
N-benzylspiro[1,4-dihydroquinoxaline-3,3'-piperidine]-2-imine
CID 136507736
N-benzyl-1'H-spiro[cyclohexane-1,2'-quinoxalin]-3'-amine
CID 135929514
N-tert-butylspiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine
CID 135929518
N-[(4-Fluorophenyl)methyl]-1'H-spiro[cycloheptane-1,2'-quinoxalin]-3'-amine
CID 135899943
N-[(3-Fluorophenyl)methyl]-1'H-spiro[cycloheptane-1,2'-quinoxalin]-3'-amine
CID 135899949
N-[(3,5-difluorophenyl)methyl]-4'-methylspiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-imine
CID 136112394
4'-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-imine
CID 136112396
N-[(3,5-difluorophenyl)methyl]-2'-methylspiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-imine
CID 136112402
{N}-(3,5-difluorobenzyl)-1'{H}-spiro[cycloheptane-1,2'-quinoxalin]-3'-amine
CID 136112410
N-(4-Fluorobenzyl)-1'H-spiro[piperidine-4,2'-quinoxalin]-3'-amine
CID 135891233

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-difluorophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine?
The IUPAC name of N-[(2,6-difluorophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine (CID 137105510) is N-[(2,6-difluorophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine.
What is the SMILES notation for N-[(2,6-difluorophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine?
The canonical SMILES for N-[(2,6-difluorophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine is Fc1cccc(F)c1C/N=C1\Nc2ccccc2NC12CCOCC2.
What is the InChIKey of N-[(2,6-difluorophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine?
The InChIKey is PCBJKACVUWRHML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N3O/c20-14-4-3-5-15(21)13(14)12-22-18-19(8-10-25-11-9-19)24-17-7-2-1-6-16(17)23-18/h1-7,24H,8-12H2,(H,22,23).
What are the key properties of N-[(2,6-difluorophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine?
N-[(2,6-difluorophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine has a molecular weight of 343.38 g/mol, XLogP of 3.95, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-difluorophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine is sourced from PubChem (CID 137105510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).