2-chloro-7-methoxyquinoline-3-carbaldehyde

C11H8ClNO2 — CID 2064010

IUPAC2-chloro-7-methoxyquinoline-3-carbaldehyde
SMILESCOc1ccc2cc(C=O)c(Cl)nc2c1
InChIInChI=1S/C11H8ClNO2/c1-15-9-3-2-7-4-8(6-14)11(12)13-10(7)5-9/h2-6H,1H3
InChIKeyWRXZCLBKDXISQA-UHFFFAOYSA-N
MW221.64 g/mol
LogP2.71
Rot. Bonds2

About 2-chloro-7-methoxyquinoline-3-carbaldehyde

2-chloro-7-methoxyquinoline-3-carbaldehyde (PubChem CID 2064010) has the molecular formula C11H8ClNO2 and a molecular weight of 221.64 g/mol. Its IUPAC name is 2-chloro-7-methoxyquinoline-3-carbaldehyde.

Molecular Properties

Compound Name2-chloro-7-methoxyquinoline-3-carbaldehyde
PubChem CID2064010
Molecular FormulaC11H8ClNO2
Molecular Weight221.64 g/mol
Exact Mass221.02
IUPAC Name2-chloro-7-methoxyquinoline-3-carbaldehyde
SMILESCOc1ccc2cc(C=O)c(Cl)nc2c1
InChIInChI=1S/C11H8ClNO2/c1-15-9-3-2-7-4-8(6-14)11(12)13-10(7)5-9/h2-6H,1H3
InChIKeyWRXZCLBKDXISQA-UHFFFAOYSA-N
XLogP2.71
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.64
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-methoxyquinoline-3-carbaldehyde?
The IUPAC name of 2-chloro-7-methoxyquinoline-3-carbaldehyde (CID 2064010) is 2-chloro-7-methoxyquinoline-3-carbaldehyde.
What is the SMILES notation for 2-chloro-7-methoxyquinoline-3-carbaldehyde?
The canonical SMILES for 2-chloro-7-methoxyquinoline-3-carbaldehyde is COc1ccc2cc(C=O)c(Cl)nc2c1.
What is the InChIKey of 2-chloro-7-methoxyquinoline-3-carbaldehyde?
The InChIKey is WRXZCLBKDXISQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClNO2/c1-15-9-3-2-7-4-8(6-14)11(12)13-10(7)5-9/h2-6H,1H3.
What are the key properties of 2-chloro-7-methoxyquinoline-3-carbaldehyde?
2-chloro-7-methoxyquinoline-3-carbaldehyde has a molecular weight of 221.64 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-methoxyquinoline-3-carbaldehyde is sourced from PubChem (CID 2064010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).