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

C15H18N4O — CID 77033884

IUPACN-[1-[2-(2-methylimidazol-1-yl)ethyl]-2,3-dihydroquinolin-4-ylidene]hydroxylamine
SMILESCc1nccn1CCN1CCC(=NO)c2ccccc21
InChIInChI=1S/C15H18N4O/c1-12-16-7-9-18(12)10-11-19-8-6-14(17-20)13-4-2-3-5-15(13)19/h2-5,7,9,20H,6,8,10-11H2,1H3
InChIKeyBKVDCXDPYYPBIA-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.28
Rot. Bonds3

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

N-[1-[2-(2-methylimidazol-1-yl)ethyl]-2,3-dihydroquinolin-4-ylidene]hydroxylamine (PubChem CID 77033884) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is N-[1-[2-(2-methylimidazol-1-yl)ethyl]-2,3-dihydroquinolin-4-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-[2-(2-methylimidazol-1-yl)ethyl]-2,3-dihydroquinolin-4-ylidene]hydroxylamine
PubChem CID77033884
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC NameN-[1-[2-(2-methylimidazol-1-yl)ethyl]-2,3-dihydroquinolin-4-ylidene]hydroxylamine
SMILESCc1nccn1CCN1CCC(=NO)c2ccccc21
InChIInChI=1S/C15H18N4O/c1-12-16-7-9-18(12)10-11-19-8-6-14(17-20)13-4-2-3-5-15(13)19/h2-5,7,9,20H,6,8,10-11H2,1H3
InChIKeyBKVDCXDPYYPBIA-UHFFFAOYSA-N
XLogP2.28
TPSA53.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

1-[2-(2-methylimidazol-1-yl)ethyl]-3,4-dihydro-2H-1-benzazepin-5-one
CID 114336954
N-[1-(3-methylbutyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine
CID 77033810
(NZ)-N-[1-[2-(1-methylpiperidin-2-yl)ethyl]-2,3-dihydroquinolin-4-ylidene]hydroxylamine
CID 107912556
2-[2-(2-methylimidazol-1-yl)ethyl]-3,4-dihydroisoquinolin-1-one
CID 112706164
N-[1-(3-imidazol-1-ylpropyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine
CID 77033455
N-[1-(2-propan-2-yloxyethyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine
CID 77033411
(NZ)-N-[1-(4,4,4-trifluorobutyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine
CID 115514135
(NZ)-N-[1-(2,2,2-trifluoroethyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine
CID 78992106
N-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]-2,3-dihydroquinolin-4-ylidene]hydroxylamine
CID 77053058
(NZ)-N-[1-(2-methoxyethyl)-3,4-dihydro-2H-1-benzazepin-5-ylidene]hydroxylamine
CID 114337205
1-[2-(2-methylimidazol-1-yl)ethyl]-2,3-dihydroindol-6-amine
CID 54961512
1-[2-(2-methylimidazol-1-yl)ethyl]-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106903029

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2-methylimidazol-1-yl)ethyl]-2,3-dihydroquinolin-4-ylidene]hydroxylamine?
The IUPAC name of N-[1-[2-(2-methylimidazol-1-yl)ethyl]-2,3-dihydroquinolin-4-ylidene]hydroxylamine (CID 77033884) is N-[1-[2-(2-methylimidazol-1-yl)ethyl]-2,3-dihydroquinolin-4-ylidene]hydroxylamine.
What is the SMILES notation for N-[1-[2-(2-methylimidazol-1-yl)ethyl]-2,3-dihydroquinolin-4-ylidene]hydroxylamine?
The canonical SMILES for N-[1-[2-(2-methylimidazol-1-yl)ethyl]-2,3-dihydroquinolin-4-ylidene]hydroxylamine is Cc1nccn1CCN1CCC(=NO)c2ccccc21.
What is the InChIKey of N-[1-[2-(2-methylimidazol-1-yl)ethyl]-2,3-dihydroquinolin-4-ylidene]hydroxylamine?
The InChIKey is BKVDCXDPYYPBIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-12-16-7-9-18(12)10-11-19-8-6-14(17-20)13-4-2-3-5-15(13)19/h2-5,7,9,20H,6,8,10-11H2,1H3.
What are the key properties of N-[1-[2-(2-methylimidazol-1-yl)ethyl]-2,3-dihydroquinolin-4-ylidene]hydroxylamine?
N-[1-[2-(2-methylimidazol-1-yl)ethyl]-2,3-dihydroquinolin-4-ylidene]hydroxylamine has a molecular weight of 270.34 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2-methylimidazol-1-yl)ethyl]-2,3-dihydroquinolin-4-ylidene]hydroxylamine is sourced from PubChem (CID 77033884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).