2-(quinolin-2-ylmethoxy)-11H-benzo[c][1]benzoxepin-6-imine

C24H18N2O2 — CID 139800463

IUPAC2-(quinolin-2-ylmethoxy)-11H-benzo[c][1]benzoxepin-6-imine
SMILES[H]/N=C1\Oc2ccc(OCc3ccc4ccccc4n3)cc2Cc2ccccc21
InChIInChI=1S/C24H18N2O2/c25-24-21-7-3-1-6-17(21)13-18-14-20(11-12-23(18)28-24)27-15-19-10-9-16-5-2-4-8-22(16)26-19/h1-12,14,25H,13,15H2/b25-24-
InChIKeyIFQXHGPBXYIMON-IZHYLOQSSA-N
MW366.42 g/mol
LogP5.12
Rot. Bonds3

About 2-(quinolin-2-ylmethoxy)-11H-benzo[c][1]benzoxepin-6-imine

2-(quinolin-2-ylmethoxy)-11H-benzo[c][1]benzoxepin-6-imine (PubChem CID 139800463) has the molecular formula C24H18N2O2 and a molecular weight of 366.42 g/mol. Its IUPAC name is 2-(quinolin-2-ylmethoxy)-11H-benzo[c][1]benzoxepin-6-imine.

Molecular Properties

Compound Name2-(quinolin-2-ylmethoxy)-11H-benzo[c][1]benzoxepin-6-imine
PubChem CID139800463
Molecular FormulaC24H18N2O2
Molecular Weight366.42 g/mol
Exact Mass366.14
IUPAC Name2-(quinolin-2-ylmethoxy)-11H-benzo[c][1]benzoxepin-6-imine
SMILES[H]/N=C1\Oc2ccc(OCc3ccc4ccccc4n3)cc2Cc2ccccc21
InChIInChI=1S/C24H18N2O2/c25-24-21-7-3-1-6-17(21)13-18-14-20(11-12-23(18)28-24)27-15-19-10-9-16-5-2-4-8-22(16)26-19/h1-12,14,25H,13,15H2/b25-24-
InChIKeyIFQXHGPBXYIMON-IZHYLOQSSA-N
XLogP5.12
TPSA55.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.42
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(quinolin-2-ylmethoxy)-11H-benzo[c][1]benzoxepin-6-imine with MolForge

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Related Compounds

methyl 3-[[2-imino-6-(quinolin-2-ylmethoxy)-3,4-dihydro-1H-naphthalen-1-yl]oxy]propanoate
CID 67739523
sodium;hydride;7-(quinolin-2-ylmethoxy)naphthalene-1-sulfonic acid
CID 173321253
3-(2-ethoxypropylidene)-6-(quinolin-2-ylmethoxy)chromen-4-one
CID 54129454
2-[(4-chloro-3-fluorophenoxy)methyl]quinoline
CID 82727045
6-(quinolin-2-ylmethoxy)naphthalene-2-carbonitrile
CID 23224654
2-[[3-(1,3-dioxolan-2-yl)phenoxy]methyl]quinoline
CID 19864853
[4-(quinolin-2-ylmethoxy)phenyl]methanamine
CID 28773235
3-propan-2-yl-6-(quinolin-2-ylmethoxy)-3,4-dihydro-2H-chromen-4-ol
CID 14422709
(3R,4S)-3-(pyridin-4-ylmethyl)-6-(quinolin-2-ylmethoxy)-3,4-dihydro-2H-chromen-4-ol
CID 67612915
4-(quinolin-2-ylmethoxy)benzonitrile
CID 19844724
2-[[3-(bromomethyl)phenoxy]methyl]quinoline
CID 43324683
[3-(quinolin-2-ylmethoxy)phenyl]boronic acid
CID 43327889

Frequently Asked Questions

What is the IUPAC name of 2-(quinolin-2-ylmethoxy)-11H-benzo[c][1]benzoxepin-6-imine?
The IUPAC name of 2-(quinolin-2-ylmethoxy)-11H-benzo[c][1]benzoxepin-6-imine (CID 139800463) is 2-(quinolin-2-ylmethoxy)-11H-benzo[c][1]benzoxepin-6-imine.
What is the SMILES notation for 2-(quinolin-2-ylmethoxy)-11H-benzo[c][1]benzoxepin-6-imine?
The canonical SMILES for 2-(quinolin-2-ylmethoxy)-11H-benzo[c][1]benzoxepin-6-imine is [H]/N=C1\Oc2ccc(OCc3ccc4ccccc4n3)cc2Cc2ccccc21.
What is the InChIKey of 2-(quinolin-2-ylmethoxy)-11H-benzo[c][1]benzoxepin-6-imine?
The InChIKey is IFQXHGPBXYIMON-IZHYLOQSSA-N. The full InChI is InChI=1S/C24H18N2O2/c25-24-21-7-3-1-6-17(21)13-18-14-20(11-12-23(18)28-24)27-15-19-10-9-16-5-2-4-8-22(16)26-19/h1-12,14,25H,13,15H2/b25-24-.
What are the key properties of 2-(quinolin-2-ylmethoxy)-11H-benzo[c][1]benzoxepin-6-imine?
2-(quinolin-2-ylmethoxy)-11H-benzo[c][1]benzoxepin-6-imine has a molecular weight of 366.42 g/mol, XLogP of 5.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(quinolin-2-ylmethoxy)-11H-benzo[c][1]benzoxepin-6-imine is sourced from PubChem (CID 139800463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).