N-[(5-methoxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]hydroxylamine

C12H18N2O2 — CID 117318550

IUPACN-[(5-methoxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]hydroxylamine
SMILESCOc1c(CNO)ccc2c1CCCN2C
InChIInChI=1S/C12H18N2O2/c1-14-7-3-4-10-11(14)6-5-9(8-13-15)12(10)16-2/h5-6,13,15H,3-4,7-8H2,1-2H3
InChIKeyGEOLWURNKAMFAA-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.56
Rot. Bonds3

About N-[(5-methoxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]hydroxylamine

N-[(5-methoxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]hydroxylamine (PubChem CID 117318550) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is N-[(5-methoxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]hydroxylamine.

Molecular Properties

Compound NameN-[(5-methoxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]hydroxylamine
PubChem CID117318550
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC NameN-[(5-methoxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]hydroxylamine
SMILESCOc1c(CNO)ccc2c1CCCN2C
InChIInChI=1S/C12H18N2O2/c1-14-7-3-4-10-11(14)6-5-9(8-13-15)12(10)16-2/h5-6,13,15H,3-4,7-8H2,1-2H3
InChIKeyGEOLWURNKAMFAA-UHFFFAOYSA-N
XLogP1.56
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(5-methoxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)butan-1-amine
CID 117374655
1-(5-methoxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)cyclopropan-1-ol
CID 117338640
2-(4-methoxy-1-methyl-2,3-dihydroindol-5-yl)ethanamine
CID 84674503
2-(5-methoxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxoacetic acid
CID 117375678
methyl 2-hydroxy-2-(5-methoxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)acetate
CID 117417057
4-methoxy-1-methyl-5-(piperazin-1-ylmethyl)-2,3-dihydroindole
CID 117408497
ethyl 2-hydroxy-2-(5-methoxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)acetate
CID 117447810
6-(aminooxymethyl)-1-methyl-3,4-dihydro-2H-quinolin-5-ol
CID 117297783
[5-(5-methoxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1-methylpyrrolidin-3-yl]methanamine
CID 117467828
3-(5-methoxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1H-pyrazole-5-carboxylic acid
CID 117463567
(5-hydroxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanesulfonyl chloride
CID 117441436
ethyl 2-(4-methoxy-1-methyl-2,3-dihydroindol-5-yl)-2-oxoacetate
CID 117412342

Frequently Asked Questions

What is the IUPAC name of N-[(5-methoxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]hydroxylamine?
The IUPAC name of N-[(5-methoxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]hydroxylamine (CID 117318550) is N-[(5-methoxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]hydroxylamine.
What is the SMILES notation for N-[(5-methoxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]hydroxylamine?
The canonical SMILES for N-[(5-methoxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]hydroxylamine is COc1c(CNO)ccc2c1CCCN2C.
What is the InChIKey of N-[(5-methoxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]hydroxylamine?
The InChIKey is GEOLWURNKAMFAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-14-7-3-4-10-11(14)6-5-9(8-13-15)12(10)16-2/h5-6,13,15H,3-4,7-8H2,1-2H3.
What are the key properties of N-[(5-methoxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]hydroxylamine?
N-[(5-methoxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]hydroxylamine has a molecular weight of 222.29 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methoxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]hydroxylamine is sourced from PubChem (CID 117318550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).