(NZ)-N-[1-[2-(1-methylpiperidin-2-yl)ethyl]-2,3-dihydroquinolin-4-ylidene]hydroxylamine

C17H25N3O — CID 107912556

IUPAC(NZ)-N-[1-[2-(1-methylpiperidin-2-yl)ethyl]-2,3-dihydroquinolin-4-ylidene]hydroxylamine
SMILESCN1CCCCC1CCN1CC/C(=N/O)c2ccccc21
InChIInChI=1S/C17H25N3O/c1-19-11-5-4-6-14(19)9-12-20-13-10-16(18-21)15-7-2-3-8-17(15)20/h2-3,7-8,14,21H,4-6,9-13H2,1H3/b18-16-
InChIKeyXCPXHQPNLLIIOX-VLGSPTGOSA-N
MW287.41 g/mol
LogP2.95
Rot. Bonds3

About (NZ)-N-[1-[2-(1-methylpiperidin-2-yl)ethyl]-2,3-dihydroquinolin-4-ylidene]hydroxylamine

(NZ)-N-[1-[2-(1-methylpiperidin-2-yl)ethyl]-2,3-dihydroquinolin-4-ylidene]hydroxylamine (PubChem CID 107912556) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is (NZ)-N-[1-[2-(1-methylpiperidin-2-yl)ethyl]-2,3-dihydroquinolin-4-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[1-[2-(1-methylpiperidin-2-yl)ethyl]-2,3-dihydroquinolin-4-ylidene]hydroxylamine
PubChem CID107912556
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name(NZ)-N-[1-[2-(1-methylpiperidin-2-yl)ethyl]-2,3-dihydroquinolin-4-ylidene]hydroxylamine
SMILESCN1CCCCC1CCN1CC/C(=N/O)c2ccccc21
InChIInChI=1S/C17H25N3O/c1-19-11-5-4-6-14(19)9-12-20-13-10-16(18-21)15-7-2-3-8-17(15)20/h2-3,7-8,14,21H,4-6,9-13H2,1H3/b18-16-
InChIKeyXCPXHQPNLLIIOX-VLGSPTGOSA-N
XLogP2.95
TPSA39.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(NZ)-N-[1-[3-(2-methoxyethoxy)propyl]-2,3-dihydroquinolin-4-ylidene]hydroxylamine
CID 103410031
N-[1-[2-(2-methylimidazol-1-yl)ethyl]-2,3-dihydroquinolin-4-ylidene]hydroxylamine
CID 77033884
(NZ)-N-[1-(2-methoxyethyl)-3,4-dihydro-2H-1-benzazepin-5-ylidene]hydroxylamine
CID 114337205
2-[2-(1-methylpiperidin-2-yl)ethyl]-3,4-dihydroisoquinolin-1-one
CID 107914190
N-[1-(2-propan-2-yloxyethyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine
CID 77033411
N-[1-(oxan-2-ylmethyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine
CID 77034016
3-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)-N,N-dimethylpropanamide
CID 77033749
(NZ)-N-[1-(2,2,2-trifluoroethyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine
CID 78992106
1-[2-(1-methylpiperidin-2-yl)ethyl]-2,3-dihydroindol-5-amine
CID 107912688
N-[1-(pyridin-3-ylmethyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine
CID 77033864
N-cyclopropyl-3-[(5Z)-5-hydroxyimino-3,4-dihydro-2H-1-benzazepin-1-yl]propanamide
CID 114337184
N-[1-(2-bicyclo[2.2.1]heptanylmethyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine
CID 79562792

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[1-[2-(1-methylpiperidin-2-yl)ethyl]-2,3-dihydroquinolin-4-ylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[1-[2-(1-methylpiperidin-2-yl)ethyl]-2,3-dihydroquinolin-4-ylidene]hydroxylamine (CID 107912556) is (NZ)-N-[1-[2-(1-methylpiperidin-2-yl)ethyl]-2,3-dihydroquinolin-4-ylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[1-[2-(1-methylpiperidin-2-yl)ethyl]-2,3-dihydroquinolin-4-ylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[1-[2-(1-methylpiperidin-2-yl)ethyl]-2,3-dihydroquinolin-4-ylidene]hydroxylamine is CN1CCCCC1CCN1CC/C(=N/O)c2ccccc21.
What is the InChIKey of (NZ)-N-[1-[2-(1-methylpiperidin-2-yl)ethyl]-2,3-dihydroquinolin-4-ylidene]hydroxylamine?
The InChIKey is XCPXHQPNLLIIOX-VLGSPTGOSA-N. The full InChI is InChI=1S/C17H25N3O/c1-19-11-5-4-6-14(19)9-12-20-13-10-16(18-21)15-7-2-3-8-17(15)20/h2-3,7-8,14,21H,4-6,9-13H2,1H3/b18-16-.
What are the key properties of (NZ)-N-[1-[2-(1-methylpiperidin-2-yl)ethyl]-2,3-dihydroquinolin-4-ylidene]hydroxylamine?
(NZ)-N-[1-[2-(1-methylpiperidin-2-yl)ethyl]-2,3-dihydroquinolin-4-ylidene]hydroxylamine has a molecular weight of 287.41 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[1-[2-(1-methylpiperidin-2-yl)ethyl]-2,3-dihydroquinolin-4-ylidene]hydroxylamine is sourced from PubChem (CID 107912556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).