(E)-N-heptan-2-yloxy-1-quinolin-8-ylmethanimine

C17H22N2O — CID 91826205

IUPAC(E)-N-heptan-2-yloxy-1-quinolin-8-ylmethanimine
SMILESCCCCCC(C)O/N=C/c1cccc2cccnc12
InChIInChI=1S/C17H22N2O/c1-3-4-5-8-14(2)20-19-13-16-10-6-9-15-11-7-12-18-17(15)16/h6-7,9-14H,3-5,8H2,1-2H3/b19-13+
InChIKeyUPAYERCUWAEIOT-CPNJWEJPSA-N
MW270.38 g/mol
LogP4.55
Rot. Bonds7

About (E)-N-heptan-2-yloxy-1-quinolin-8-ylmethanimine

(E)-N-heptan-2-yloxy-1-quinolin-8-ylmethanimine (PubChem CID 91826205) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is (E)-N-heptan-2-yloxy-1-quinolin-8-ylmethanimine.

Molecular Properties

Compound Name(E)-N-heptan-2-yloxy-1-quinolin-8-ylmethanimine
PubChem CID91826205
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name(E)-N-heptan-2-yloxy-1-quinolin-8-ylmethanimine
SMILESCCCCCC(C)O/N=C/c1cccc2cccnc12
InChIInChI=1S/C17H22N2O/c1-3-4-5-8-14(2)20-19-13-16-10-6-9-15-11-7-12-18-17(15)16/h6-7,9-14H,3-5,8H2,1-2H3/b19-13+
InChIKeyUPAYERCUWAEIOT-CPNJWEJPSA-N
XLogP4.55
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-quinolin-8-ylhexan-1-amine
CID 105021327
[(2R)-3-methyl-1-oxo-1-[(2E)-2-(quinolin-8-ylmethylidene)hydrazinyl]pentan-2-yl]azanium;chloride;hydrochloride
CID 44666494
N-(2-quinolin-8-yloxypropyl)pentan-1-amine
CID 62597847
N-methyl-N-(quinolin-8-ylmethylideneamino)methanamine
CID 159110850
8-[(2S)-butan-2-yl]oxyquinoline
CID 99646584
4-octan-2-yloxyquinolin-8-amine
CID 83060551
2-(4-butylphenoxy)-N-(quinolin-8-ylmethylideneamino)acetamide
CID 4066919
(Z)-N-(4-tert-butylcyclohexyl)oxy-1-quinolin-8-ylmethanimine
CID 91826159
8-[(2R)-1-methoxypropan-2-yl]oxyquinoline
CID 141434542
N-(2-quinolin-8-ylethyl)hexan-2-amine
CID 81298453
tert-butyl N-[(2R,3S)-3-methyl-1-oxo-1-[(2Z)-2-(quinolin-8-ylmethylidene)hydrazinyl]pentan-2-yl]carbamate
CID 51553758
N-heptan-2-yl-6-methoxyquinolin-8-amine
CID 70828579

Frequently Asked Questions

What is the IUPAC name of (E)-N-heptan-2-yloxy-1-quinolin-8-ylmethanimine?
The IUPAC name of (E)-N-heptan-2-yloxy-1-quinolin-8-ylmethanimine (CID 91826205) is (E)-N-heptan-2-yloxy-1-quinolin-8-ylmethanimine.
What is the SMILES notation for (E)-N-heptan-2-yloxy-1-quinolin-8-ylmethanimine?
The canonical SMILES for (E)-N-heptan-2-yloxy-1-quinolin-8-ylmethanimine is CCCCCC(C)O/N=C/c1cccc2cccnc12.
What is the InChIKey of (E)-N-heptan-2-yloxy-1-quinolin-8-ylmethanimine?
The InChIKey is UPAYERCUWAEIOT-CPNJWEJPSA-N. The full InChI is InChI=1S/C17H22N2O/c1-3-4-5-8-14(2)20-19-13-16-10-6-9-15-11-7-12-18-17(15)16/h6-7,9-14H,3-5,8H2,1-2H3/b19-13+.
What are the key properties of (E)-N-heptan-2-yloxy-1-quinolin-8-ylmethanimine?
(E)-N-heptan-2-yloxy-1-quinolin-8-ylmethanimine has a molecular weight of 270.38 g/mol, XLogP of 4.55, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-heptan-2-yloxy-1-quinolin-8-ylmethanimine is sourced from PubChem (CID 91826205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).