(NZ)-N-[(2-chloro-7-methylquinolin-3-yl)methylidene]hydroxylamine

C11H9ClN2O — CID 51857757

IUPAC(NZ)-N-[(2-chloro-7-methylquinolin-3-yl)methylidene]hydroxylamine
SMILESCc1ccc2cc(/C=N\O)c(Cl)nc2c1
InChIInChI=1S/C11H9ClN2O/c1-7-2-3-8-5-9(6-13-15)11(12)14-10(8)4-7/h2-6,15H,1H3/b13-6-
InChIKeyZBGJCMUGOSQKCW-MLPAPPSSSA-N
MW220.66 g/mol
LogP3.00
Rot. Bonds1

About (NZ)-N-[(2-chloro-7-methylquinolin-3-yl)methylidene]hydroxylamine

(NZ)-N-[(2-chloro-7-methylquinolin-3-yl)methylidene]hydroxylamine (PubChem CID 51857757) has the molecular formula C11H9ClN2O and a molecular weight of 220.66 g/mol. Its IUPAC name is (NZ)-N-[(2-chloro-7-methylquinolin-3-yl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[(2-chloro-7-methylquinolin-3-yl)methylidene]hydroxylamine
PubChem CID51857757
Molecular FormulaC11H9ClN2O
Molecular Weight220.66 g/mol
Exact Mass220.04
IUPAC Name(NZ)-N-[(2-chloro-7-methylquinolin-3-yl)methylidene]hydroxylamine
SMILESCc1ccc2cc(/C=N\O)c(Cl)nc2c1
InChIInChI=1S/C11H9ClN2O/c1-7-2-3-8-5-9(6-13-15)11(12)14-10(8)4-7/h2-6,15H,1H3/b13-6-
InChIKeyZBGJCMUGOSQKCW-MLPAPPSSSA-N
XLogP3.00
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.66
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'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

(NE)-N-[(2-chloro-5,7-dimethylquinolin-3-yl)methylidene]hydroxylamine
CID 89283865
2-[(2-chloro-7-methylquinolin-3-yl)methylidene]propanedinitrile
CID 865887
(2S)-N-[(E)-(2-chloro-7-methylquinolin-3-yl)methylideneamino]pyrrolidin-1-ium-2-carboxamide chloride
CID 44660832
[(2R)-1-[(2E)-2-[(2-chloro-7-methylquinolin-3-yl)methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]azanium chloride
CID 44664586
N-[(Z)-(2-chloro-7-methylquinolin-3-yl)methylideneamino]-2-fluorobenzamide
CID 9236611
(NZ)-N-[(2-chloro-8-methylquinolin-3-yl)methylidene]hydroxylamine
CID 51857756
3-[(2-chloro-7-methylquinolin-3-yl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 4896859
N-[(2-chloro-7-methylquinolin-3-yl)methylideneamino]-3,4,5-trimethoxybenzamide
CID 3624333
1-[(Z)-(2-chloro-7-methylquinolin-3-yl)methylideneamino]-3-[(2S)-1-methoxypropan-2-yl]thiourea
CID 9176176
3-(2-chloro-7-methylquinolin-3-yl)-N-ethyl-2-methylprop-2-en-1-amine
CID 79341321
3-(2-chloro-7-methylquinolin-3-yl)-1-(3-fluorophenyl)prop-2-en-1-one
CID 91941254
N-tert-butyl-3-(2-chloro-7-methylquinolin-3-yl)-2-methylprop-2-en-1-amine
CID 79343842

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[(2-chloro-7-methylquinolin-3-yl)methylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[(2-chloro-7-methylquinolin-3-yl)methylidene]hydroxylamine (CID 51857757) is (NZ)-N-[(2-chloro-7-methylquinolin-3-yl)methylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[(2-chloro-7-methylquinolin-3-yl)methylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[(2-chloro-7-methylquinolin-3-yl)methylidene]hydroxylamine is Cc1ccc2cc(/C=N\O)c(Cl)nc2c1.
What is the InChIKey of (NZ)-N-[(2-chloro-7-methylquinolin-3-yl)methylidene]hydroxylamine?
The InChIKey is ZBGJCMUGOSQKCW-MLPAPPSSSA-N. The full InChI is InChI=1S/C11H9ClN2O/c1-7-2-3-8-5-9(6-13-15)11(12)14-10(8)4-7/h2-6,15H,1H3/b13-6-.
What are the key properties of (NZ)-N-[(2-chloro-7-methylquinolin-3-yl)methylidene]hydroxylamine?
(NZ)-N-[(2-chloro-7-methylquinolin-3-yl)methylidene]hydroxylamine has a molecular weight of 220.66 g/mol, XLogP of 3.00, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(2-chloro-7-methylquinolin-3-yl)methylidene]hydroxylamine is sourced from PubChem (CID 51857757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).