N-[(6-chloroquinolin-8-yl)methylidene]hydroxylamine

C10H7ClN2O — CID 131870785

IUPACN-[(6-chloroquinolin-8-yl)methylidene]hydroxylamine
SMILESON=Cc1cc(Cl)cc2cccnc12
InChIInChI=1S/C10H7ClN2O/c11-9-4-7-2-1-3-12-10(7)8(5-9)6-13-14/h1-6,14H
InChIKeySOOVLCVNDUKJRN-UHFFFAOYSA-N
MW206.63 g/mol
LogP2.70
Rot. Bonds1

About N-[(6-chloroquinolin-8-yl)methylidene]hydroxylamine

N-[(6-chloroquinolin-8-yl)methylidene]hydroxylamine (PubChem CID 131870785) has the molecular formula C10H7ClN2O and a molecular weight of 206.63 g/mol. Its IUPAC name is N-[(6-chloroquinolin-8-yl)methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[(6-chloroquinolin-8-yl)methylidene]hydroxylamine
PubChem CID131870785
Molecular FormulaC10H7ClN2O
Molecular Weight206.63 g/mol
Exact Mass206.02
IUPAC NameN-[(6-chloroquinolin-8-yl)methylidene]hydroxylamine
SMILESON=Cc1cc(Cl)cc2cccnc12
InChIInChI=1S/C10H7ClN2O/c11-9-4-7-2-1-3-12-10(7)8(5-9)6-13-14/h1-6,14H
InChIKeySOOVLCVNDUKJRN-UHFFFAOYSA-N
XLogP2.70
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.63
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[(6-chloroquinolin-8-yl)methylidene]hydroxylamine?
The IUPAC name of N-[(6-chloroquinolin-8-yl)methylidene]hydroxylamine (CID 131870785) is N-[(6-chloroquinolin-8-yl)methylidene]hydroxylamine.
What is the SMILES notation for N-[(6-chloroquinolin-8-yl)methylidene]hydroxylamine?
The canonical SMILES for N-[(6-chloroquinolin-8-yl)methylidene]hydroxylamine is ON=Cc1cc(Cl)cc2cccnc12.
What is the InChIKey of N-[(6-chloroquinolin-8-yl)methylidene]hydroxylamine?
The InChIKey is SOOVLCVNDUKJRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2O/c11-9-4-7-2-1-3-12-10(7)8(5-9)6-13-14/h1-6,14H.
What are the key properties of N-[(6-chloroquinolin-8-yl)methylidene]hydroxylamine?
N-[(6-chloroquinolin-8-yl)methylidene]hydroxylamine has a molecular weight of 206.63 g/mol, XLogP of 2.70, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloroquinolin-8-yl)methylidene]hydroxylamine is sourced from PubChem (CID 131870785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).