N-[1-(3-imidazol-1-ylpropyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine

C15H18N4O — CID 77033455

IUPACN-[1-(3-imidazol-1-ylpropyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine
SMILESON=C1CCN(CCCn2ccnc2)c2ccccc21
InChIInChI=1S/C15H18N4O/c20-17-14-6-10-19(15-5-2-1-4-13(14)15)9-3-8-18-11-7-16-12-18/h1-2,4-5,7,11-12,20H,3,6,8-10H2
InChIKeyAPQQZCHMTJUCAG-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.36
Rot. Bonds4

About N-[1-(3-imidazol-1-ylpropyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine

N-[1-(3-imidazol-1-ylpropyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine (PubChem CID 77033455) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is N-[1-(3-imidazol-1-ylpropyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-(3-imidazol-1-ylpropyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine
PubChem CID77033455
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC NameN-[1-(3-imidazol-1-ylpropyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine
SMILESON=C1CCN(CCCn2ccnc2)c2ccccc21
InChIInChI=1S/C15H18N4O/c20-17-14-6-10-19(15-5-2-1-4-13(14)15)9-3-8-18-11-7-16-12-18/h1-2,4-5,7,11-12,20H,3,6,8-10H2
InChIKeyAPQQZCHMTJUCAG-UHFFFAOYSA-N
XLogP2.36
TPSA53.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.36
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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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-imidazol-1-ylpropyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine?
The IUPAC name of N-[1-(3-imidazol-1-ylpropyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine (CID 77033455) is N-[1-(3-imidazol-1-ylpropyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine.
What is the SMILES notation for N-[1-(3-imidazol-1-ylpropyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine?
The canonical SMILES for N-[1-(3-imidazol-1-ylpropyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine is ON=C1CCN(CCCn2ccnc2)c2ccccc21.
What is the InChIKey of N-[1-(3-imidazol-1-ylpropyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine?
The InChIKey is APQQZCHMTJUCAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c20-17-14-6-10-19(15-5-2-1-4-13(14)15)9-3-8-18-11-7-16-12-18/h1-2,4-5,7,11-12,20H,3,6,8-10H2.
What are the key properties of N-[1-(3-imidazol-1-ylpropyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine?
N-[1-(3-imidazol-1-ylpropyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine has a molecular weight of 270.34 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-imidazol-1-ylpropyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine is sourced from PubChem (CID 77033455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).