4-chloro-3-isocyano-7-methoxyquinolin-6-ol

C11H7ClN2O2 — CID 155636888

IUPAC4-chloro-3-isocyano-7-methoxyquinolin-6-ol
SMILES[C-]#[N+]c1cnc2cc(OC)c(O)cc2c1Cl
InChIInChI=1S/C11H7ClN2O2/c1-13-8-5-14-7-4-10(16-2)9(15)3-6(7)11(8)12/h3-5,15H,2H3
InChIKeyORVQMVIOYKFFLM-UHFFFAOYSA-N
MW234.64 g/mol
LogP3.15
Rot. Bonds1

About 4-chloro-3-isocyano-7-methoxyquinolin-6-ol

4-chloro-3-isocyano-7-methoxyquinolin-6-ol (PubChem CID 155636888) has the molecular formula C11H7ClN2O2 and a molecular weight of 234.64 g/mol. Its IUPAC name is 4-chloro-3-isocyano-7-methoxyquinolin-6-ol.

Molecular Properties

Compound Name4-chloro-3-isocyano-7-methoxyquinolin-6-ol
PubChem CID155636888
Molecular FormulaC11H7ClN2O2
Molecular Weight234.64 g/mol
Exact Mass234.02
IUPAC Name4-chloro-3-isocyano-7-methoxyquinolin-6-ol
SMILES[C-]#[N+]c1cnc2cc(OC)c(O)cc2c1Cl
InChIInChI=1S/C11H7ClN2O2/c1-13-8-5-14-7-4-10(16-2)9(15)3-6(7)11(8)12/h3-5,15H,2H3
InChIKeyORVQMVIOYKFFLM-UHFFFAOYSA-N
XLogP3.15
TPSA46.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.64
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-isocyano-7-methoxyquinolin-6-ol?
The IUPAC name of 4-chloro-3-isocyano-7-methoxyquinolin-6-ol (CID 155636888) is 4-chloro-3-isocyano-7-methoxyquinolin-6-ol.
What is the SMILES notation for 4-chloro-3-isocyano-7-methoxyquinolin-6-ol?
The canonical SMILES for 4-chloro-3-isocyano-7-methoxyquinolin-6-ol is [C-]#[N+]c1cnc2cc(OC)c(O)cc2c1Cl.
What is the InChIKey of 4-chloro-3-isocyano-7-methoxyquinolin-6-ol?
The InChIKey is ORVQMVIOYKFFLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN2O2/c1-13-8-5-14-7-4-10(16-2)9(15)3-6(7)11(8)12/h3-5,15H,2H3.
What are the key properties of 4-chloro-3-isocyano-7-methoxyquinolin-6-ol?
4-chloro-3-isocyano-7-methoxyquinolin-6-ol has a molecular weight of 234.64 g/mol, XLogP of 3.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-isocyano-7-methoxyquinolin-6-ol is sourced from PubChem (CID 155636888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).