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

C20H19ClF2N2O — CID 147829618

IUPACN-[(3-chloro-2,6-difluorophenyl)methyl]spiro[1,4-dihydroquinoline-3,4'-oxane]-2-imine
SMILESFc1ccc(Cl)c(F)c1C/N=C1\Nc2ccccc2CC12CCOCC2
InChIInChI=1S/C20H19ClF2N2O/c21-15-5-6-16(22)14(18(15)23)12-24-19-20(7-9-26-10-8-20)11-13-3-1-2-4-17(13)25-19/h1-6H,7-12H2,(H,24,25)
InChIKeyHQVKUDKLVSLMRR-UHFFFAOYSA-N
MW376.83 g/mol
LogP4.98
Rot. Bonds2

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

N-[(3-chloro-2,6-difluorophenyl)methyl]spiro[1,4-dihydroquinoline-3,4'-oxane]-2-imine (PubChem CID 147829618) has the molecular formula C20H19ClF2N2O and a molecular weight of 376.83 g/mol. Its IUPAC name is N-[(3-chloro-2,6-difluorophenyl)methyl]spiro[1,4-dihydroquinoline-3,4'-oxane]-2-imine.

Molecular Properties

Compound NameN-[(3-chloro-2,6-difluorophenyl)methyl]spiro[1,4-dihydroquinoline-3,4'-oxane]-2-imine
PubChem CID147829618
Molecular FormulaC20H19ClF2N2O
Molecular Weight376.83 g/mol
Exact Mass376.12
IUPAC NameN-[(3-chloro-2,6-difluorophenyl)methyl]spiro[1,4-dihydroquinoline-3,4'-oxane]-2-imine
SMILESFc1ccc(Cl)c(F)c1C/N=C1\Nc2ccccc2CC12CCOCC2
InChIInChI=1S/C20H19ClF2N2O/c21-15-5-6-16(22)14(18(15)23)12-24-19-20(7-9-26-10-8-20)11-13-3-1-2-4-17(13)25-19/h1-6H,7-12H2,(H,24,25)
InChIKeyHQVKUDKLVSLMRR-UHFFFAOYSA-N
XLogP4.98
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.83
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-2,6-difluorophenyl)methyl]spiro[1,4-dihydroquinoline-3,4'-oxane]-2-imine?
The IUPAC name of N-[(3-chloro-2,6-difluorophenyl)methyl]spiro[1,4-dihydroquinoline-3,4'-oxane]-2-imine (CID 147829618) is N-[(3-chloro-2,6-difluorophenyl)methyl]spiro[1,4-dihydroquinoline-3,4'-oxane]-2-imine.
What is the SMILES notation for N-[(3-chloro-2,6-difluorophenyl)methyl]spiro[1,4-dihydroquinoline-3,4'-oxane]-2-imine?
The canonical SMILES for N-[(3-chloro-2,6-difluorophenyl)methyl]spiro[1,4-dihydroquinoline-3,4'-oxane]-2-imine is Fc1ccc(Cl)c(F)c1C/N=C1\Nc2ccccc2CC12CCOCC2.
What is the InChIKey of N-[(3-chloro-2,6-difluorophenyl)methyl]spiro[1,4-dihydroquinoline-3,4'-oxane]-2-imine?
The InChIKey is HQVKUDKLVSLMRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClF2N2O/c21-15-5-6-16(22)14(18(15)23)12-24-19-20(7-9-26-10-8-20)11-13-3-1-2-4-17(13)25-19/h1-6H,7-12H2,(H,24,25).
What are the key properties of N-[(3-chloro-2,6-difluorophenyl)methyl]spiro[1,4-dihydroquinoline-3,4'-oxane]-2-imine?
N-[(3-chloro-2,6-difluorophenyl)methyl]spiro[1,4-dihydroquinoline-3,4'-oxane]-2-imine has a molecular weight of 376.83 g/mol, XLogP of 4.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-2,6-difluorophenyl)methyl]spiro[1,4-dihydroquinoline-3,4'-oxane]-2-imine is sourced from PubChem (CID 147829618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).