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'}

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

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Related Compounds

1(2H)-Quinolinecarboxylic acid, 6-fluoro-3,4-dihydro-4-(hydroxyimino)-, methyl ester
CID 6510077
1(2H)-Quinolinecarboxylic acid, 6-fluoro-3,4-dihydro-4-(hydroxyimino)-, ethyl ester
CID 6510080
N-{[4-(morpholin-4-yl)phenyl]methylidene}hydroxylamine
CID 6898269
Acetophenone, p-amino-, O-(2-morpholinoethyl)oxime
CID 9570567
1-[(2-methyloxiran-2-yl)methyl]-3,4-dihydro-2H-quinoline
CID 102413131
N-(2-methoxyethyl)-1,2,3,4-tetrahydroquinoline
CID 12130843
N-[2-(2-hydroxyethoxy)ethyl]-1,2,3,4-tetrahydroquinoline
CID 12175480
N-(2-acetoxyethyl)-1,2,3,4-tetrahydroquinoline
CID 20295821
1-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-morpholin-4-ylpropan-2-ol
CID 75386556
Methyl 6-fluoro-4-hydroxyimino-2,3-dihydroquinoline-1-carboxylate
CID 3067733
Ethyl 6-fluoro-4-hydroxyimino-2,3-dihydroquinoline-1-carboxylate
CID 3067736
(NZ)-N-[2,2,2-trifluoro-1-(3-morpholin-4-ylphenyl)ethylidene]hydroxylamine
CID 22605605

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).