(NZ)-N-[(2-chloro-8-methylquinolin-3-yl)methylidene]hydroxylamine

C11H9ClN2O — CID 51857756

IUPAC(NZ)-N-[(2-chloro-8-methylquinolin-3-yl)methylidene]hydroxylamine
SMILESCc1cccc2cc(/C=N\O)c(Cl)nc12
InChIInChI=1S/C11H9ClN2O/c1-7-3-2-4-8-5-9(6-13-15)11(12)14-10(7)8/h2-6,15H,1H3/b13-6-
InChIKeySRISEHTWUFODRY-MLPAPPSSSA-N
MW220.66 g/mol
LogP3.00
Rot. Bonds1

About (NZ)-N-[(2-chloro-8-methylquinolin-3-yl)methylidene]hydroxylamine

(NZ)-N-[(2-chloro-8-methylquinolin-3-yl)methylidene]hydroxylamine (PubChem CID 51857756) has the molecular formula C11H9ClN2O and a molecular weight of 220.66 g/mol. Its IUPAC name is (NZ)-N-[(2-chloro-8-methylquinolin-3-yl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[(2-chloro-8-methylquinolin-3-yl)methylidene]hydroxylamine
PubChem CID51857756
Molecular FormulaC11H9ClN2O
Molecular Weight220.66 g/mol
Exact Mass220.04
IUPAC Name(NZ)-N-[(2-chloro-8-methylquinolin-3-yl)methylidene]hydroxylamine
SMILESCc1cccc2cc(/C=N\O)c(Cl)nc12
InChIInChI=1S/C11H9ClN2O/c1-7-3-2-4-8-5-9(6-13-15)11(12)14-10(7)8/h2-6,15H,1H3/b13-6-
InChIKeySRISEHTWUFODRY-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

methyl N-[(Z)-(2-chloro-8-methylquinolin-3-yl)methylideneamino]carbamate
CID 9075519
1-(2-chloro-8-methylquinolin-3-yl)-N-(2,4-dichlorophenyl)methanimine
CID 3953413
3-(2-chloro-8-methylquinolin-3-yl)-2-fluoroprop-2-enoic acid
CID 79725824
2-chloro-8-methyl-3-[(E)-2-nitroprop-1-enyl]quinoline
CID 55016872
2-chloro-8-methyl-3-(2-nitroethenyl)quinoline
CID 53396799
(NZ)-N-[(2-chloro-7-methylquinolin-3-yl)methylidene]hydroxylamine
CID 51857757
N-[(Z)-(2-chloro-8-methylquinolin-3-yl)methylideneamino]-2-(3,4-dimethylphenoxy)acetamide
CID 9316234
3-(2-chloro-8-methylquinolin-3-yl)-N-ethyl-2-methylprop-2-en-1-amine
CID 79341211
(E)-4-(2-chloro-8-methylquinolin-3-yl)-N-methylbut-3-en-2-amine
CID 103092215
2-chloro-3-ethyl-8-methylquinoline
CID 18523984
2-chloro-8-methyl-3-(4-methyl-2-nitropent-1-enyl)quinoline
CID 76996056
N-[(2-chloro-8-methylquinolin-3-yl)methylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 3332290

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[(2-chloro-8-methylquinolin-3-yl)methylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[(2-chloro-8-methylquinolin-3-yl)methylidene]hydroxylamine (CID 51857756) is (NZ)-N-[(2-chloro-8-methylquinolin-3-yl)methylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[(2-chloro-8-methylquinolin-3-yl)methylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[(2-chloro-8-methylquinolin-3-yl)methylidene]hydroxylamine is Cc1cccc2cc(/C=N\O)c(Cl)nc12.
What is the InChIKey of (NZ)-N-[(2-chloro-8-methylquinolin-3-yl)methylidene]hydroxylamine?
The InChIKey is SRISEHTWUFODRY-MLPAPPSSSA-N. The full InChI is InChI=1S/C11H9ClN2O/c1-7-3-2-4-8-5-9(6-13-15)11(12)14-10(7)8/h2-6,15H,1H3/b13-6-.
What are the key properties of (NZ)-N-[(2-chloro-8-methylquinolin-3-yl)methylidene]hydroxylamine?
(NZ)-N-[(2-chloro-8-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-8-methylquinolin-3-yl)methylidene]hydroxylamine is sourced from PubChem (CID 51857756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).