(NE)-N-[(4Z)-8-(3,4-dihydro-2H-quinolin-1-yl)cyclooct-4-en-1-ylidene]hydroxylamine

C17H22N2O — CID 43835230

IUPAC(NE)-N-[(4Z)-8-(3,4-dihydro-2H-quinolin-1-yl)cyclooct-4-en-1-ylidene]hydroxylamine
SMILESO/N=C1\CC/C=C\CCC1N1CCCc2ccccc21
InChIInChI=1S/C17H22N2O/c20-18-15-10-3-1-2-4-12-17(15)19-13-7-9-14-8-5-6-11-16(14)19/h1-2,5-6,8,11,17,20H,3-4,7,9-10,12-13H2/b2-1-,18-15+
InChIKeySTDGYDUACZLNIR-YPPRMKBDSA-N
MW270.38 g/mol
LogP3.77
Rot. Bonds1

About (NE)-N-[(4Z)-8-(3,4-dihydro-2H-quinolin-1-yl)cyclooct-4-en-1-ylidene]hydroxylamine

(NE)-N-[(4Z)-8-(3,4-dihydro-2H-quinolin-1-yl)cyclooct-4-en-1-ylidene]hydroxylamine (PubChem CID 43835230) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is (NE)-N-[(4Z)-8-(3,4-dihydro-2H-quinolin-1-yl)cyclooct-4-en-1-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(4Z)-8-(3,4-dihydro-2H-quinolin-1-yl)cyclooct-4-en-1-ylidene]hydroxylamine
PubChem CID43835230
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name(NE)-N-[(4Z)-8-(3,4-dihydro-2H-quinolin-1-yl)cyclooct-4-en-1-ylidene]hydroxylamine
SMILESO/N=C1\CC/C=C\CCC1N1CCCc2ccccc21
InChIInChI=1S/C17H22N2O/c20-18-15-10-3-1-2-4-12-17(15)19-13-7-9-14-8-5-6-11-16(14)19/h1-2,5-6,8,11,17,20H,3-4,7,9-10,12-13H2/b2-1-,18-15+
InChIKeySTDGYDUACZLNIR-YPPRMKBDSA-N
XLogP3.77
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (NE)-N-[(4Z)-8-(3,4-dihydro-2H-quinolin-1-yl)cyclooct-4-en-1-ylidene]hydroxylamine with MolForge

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Related Compounds

(NE)-N-[(2R)-2-(3,4-dihydro-2H-quinolin-1-yl)cyclopentylidene]hydroxylamine
CID 98157882
1-(3,4-dihydro-2H-quinolin-1-yl)-2,3-dihydro-1H-inden-5-ol
CID 107684922
2-(3,4-dihydro-2H-quinolin-1-yl)cyclopentane-1-carboxylic acid
CID 63068563
(NZ)-N-[2-[4-(2-chlorophenyl)piperazin-1-yl]cyclododecylidene]hydroxylamine
CID 6158664
3-(3,4-dihydro-2H-quinolin-1-yl)cyclopentan-1-amine
CID 79464524
3-(3,4-dihydro-2H-quinolin-1-yl)pyrrolidine-1-carboxylic acid
CID 67493051
2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizine
CID 13380222
1-(1-propan-2-ylpiperidin-4-yl)-3,4-dihydro-2H-quinoline
CID 23570249
2-(3,4-dihydro-2H-quinolin-1-yl)cyclohexane-1-carbonitrile
CID 43291742
(3S)-3-(3,4-dihydro-2H-quinolin-1-yl)-1-phenylpyrrolidine-2,5-dione
CID 680139
1-oxido-3,4-dihydro-2H-quinoline
CID 18542548
1-fluoro-3,4-dihydro-2H-quinoline
CID 141340619

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(4Z)-8-(3,4-dihydro-2H-quinolin-1-yl)cyclooct-4-en-1-ylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(4Z)-8-(3,4-dihydro-2H-quinolin-1-yl)cyclooct-4-en-1-ylidene]hydroxylamine (CID 43835230) is (NE)-N-[(4Z)-8-(3,4-dihydro-2H-quinolin-1-yl)cyclooct-4-en-1-ylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(4Z)-8-(3,4-dihydro-2H-quinolin-1-yl)cyclooct-4-en-1-ylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(4Z)-8-(3,4-dihydro-2H-quinolin-1-yl)cyclooct-4-en-1-ylidene]hydroxylamine is O/N=C1\CC/C=C\CCC1N1CCCc2ccccc21.
What is the InChIKey of (NE)-N-[(4Z)-8-(3,4-dihydro-2H-quinolin-1-yl)cyclooct-4-en-1-ylidene]hydroxylamine?
The InChIKey is STDGYDUACZLNIR-YPPRMKBDSA-N. The full InChI is InChI=1S/C17H22N2O/c20-18-15-10-3-1-2-4-12-17(15)19-13-7-9-14-8-5-6-11-16(14)19/h1-2,5-6,8,11,17,20H,3-4,7,9-10,12-13H2/b2-1-,18-15+.
What are the key properties of (NE)-N-[(4Z)-8-(3,4-dihydro-2H-quinolin-1-yl)cyclooct-4-en-1-ylidene]hydroxylamine?
(NE)-N-[(4Z)-8-(3,4-dihydro-2H-quinolin-1-yl)cyclooct-4-en-1-ylidene]hydroxylamine has a molecular weight of 270.38 g/mol, XLogP of 3.77, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(4Z)-8-(3,4-dihydro-2H-quinolin-1-yl)cyclooct-4-en-1-ylidene]hydroxylamine is sourced from PubChem (CID 43835230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).