4-chloro-6-isocyano-7-methoxyquinoline

C11H7ClN2O — CID 59712237

IUPAC4-chloro-6-isocyano-7-methoxyquinoline
SMILES[C-]#[N+]c1cc2c(Cl)ccnc2cc1OC
InChIInChI=1S/C11H7ClN2O/c1-13-10-5-7-8(12)3-4-14-9(7)6-11(10)15-2/h3-6H,2H3
InChIKeyBAJKRZLDXRVVNV-UHFFFAOYSA-N
MW218.64 g/mol
LogP3.45
Rot. Bonds1

About 4-chloro-6-isocyano-7-methoxyquinoline

4-chloro-6-isocyano-7-methoxyquinoline (PubChem CID 59712237) has the molecular formula C11H7ClN2O and a molecular weight of 218.64 g/mol. Its IUPAC name is 4-chloro-6-isocyano-7-methoxyquinoline.

Molecular Properties

Compound Name4-chloro-6-isocyano-7-methoxyquinoline
PubChem CID59712237
Molecular FormulaC11H7ClN2O
Molecular Weight218.64 g/mol
Exact Mass218.02
IUPAC Name4-chloro-6-isocyano-7-methoxyquinoline
SMILES[C-]#[N+]c1cc2c(Cl)ccnc2cc1OC
InChIInChI=1S/C11H7ClN2O/c1-13-10-5-7-8(12)3-4-14-9(7)6-11(10)15-2/h3-6H,2H3
InChIKeyBAJKRZLDXRVVNV-UHFFFAOYSA-N
XLogP3.45
TPSA26.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.64
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Chloro-7-methoxyquinoline
CID 10607829
7-Methoxy-3-pyridin-4-yl-quinoline
CID 11776270
2-Chloro-7-methoxyquinoline-3-carbaldehyde oxime
CID 9624272
4-Chloro-7-(propan-2-yloxy)quinoline
CID 78324000
4-Chloro-6-methoxyquinoline
CID 228348
4-Chloro-6,7-dimethoxyquinoline
CID 459610
7-Chloro-4-methoxyquinoline
CID 1511030
5-(7-chloroquinolin-4-yl)oxy-N,N-diethylpentan-1-amine
CID 24881538
4-Chloro-7-(3-phenylpropoxy)quinoline
CID 78324295
7-Chloro-4-ethoxyquinoline
CID 226888
5-Methoxy-4,7-phenanthroline
CID 285359
2-Chloro-7-methoxy-4-methylquinoline
CID 732214

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-isocyano-7-methoxyquinoline?
The IUPAC name of 4-chloro-6-isocyano-7-methoxyquinoline (CID 59712237) is 4-chloro-6-isocyano-7-methoxyquinoline.
What is the SMILES notation for 4-chloro-6-isocyano-7-methoxyquinoline?
The canonical SMILES for 4-chloro-6-isocyano-7-methoxyquinoline is [C-]#[N+]c1cc2c(Cl)ccnc2cc1OC.
What is the InChIKey of 4-chloro-6-isocyano-7-methoxyquinoline?
The InChIKey is BAJKRZLDXRVVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN2O/c1-13-10-5-7-8(12)3-4-14-9(7)6-11(10)15-2/h3-6H,2H3.
What are the key properties of 4-chloro-6-isocyano-7-methoxyquinoline?
4-chloro-6-isocyano-7-methoxyquinoline has a molecular weight of 218.64 g/mol, XLogP of 3.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-isocyano-7-methoxyquinoline is sourced from PubChem (CID 59712237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).