N-[1-(2-propan-2-yloxyethyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine

C14H20N2O2 — CID 77033411

IUPACN-[1-(2-propan-2-yloxyethyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine
SMILESCC(C)OCCN1CCC(=NO)c2ccccc21
InChIInChI=1S/C14H20N2O2/c1-11(2)18-10-9-16-8-7-13(15-17)12-5-3-4-6-14(12)16/h3-6,11,17H,7-10H2,1-2H3
InChIKeyJBNNDITUMGKFHH-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.50
Rot. Bonds4

About N-[1-(2-propan-2-yloxyethyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine

N-[1-(2-propan-2-yloxyethyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine (PubChem CID 77033411) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-[1-(2-propan-2-yloxyethyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-(2-propan-2-yloxyethyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine
PubChem CID77033411
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-[1-(2-propan-2-yloxyethyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine
SMILESCC(C)OCCN1CCC(=NO)c2ccccc21
InChIInChI=1S/C14H20N2O2/c1-11(2)18-10-9-16-8-7-13(15-17)12-5-3-4-6-14(12)16/h3-6,11,17H,7-10H2,1-2H3
InChIKeyJBNNDITUMGKFHH-UHFFFAOYSA-N
XLogP2.50
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.50
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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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-propan-2-yloxyethyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine?
The IUPAC name of N-[1-(2-propan-2-yloxyethyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine (CID 77033411) is N-[1-(2-propan-2-yloxyethyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine.
What is the SMILES notation for N-[1-(2-propan-2-yloxyethyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine?
The canonical SMILES for N-[1-(2-propan-2-yloxyethyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine is CC(C)OCCN1CCC(=NO)c2ccccc21.
What is the InChIKey of N-[1-(2-propan-2-yloxyethyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine?
The InChIKey is JBNNDITUMGKFHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-11(2)18-10-9-16-8-7-13(15-17)12-5-3-4-6-14(12)16/h3-6,11,17H,7-10H2,1-2H3.
What are the key properties of N-[1-(2-propan-2-yloxyethyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine?
N-[1-(2-propan-2-yloxyethyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine has a molecular weight of 248.33 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-propan-2-yloxyethyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine is sourced from PubChem (CID 77033411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).