2-chloro-7-ethoxyquinoline-3-carbaldehyde

C12H10ClNO2 — CID 767416

IUPAC2-chloro-7-ethoxyquinoline-3-carbaldehyde
SMILESCCOc1ccc2cc(C=O)c(Cl)nc2c1
InChIInChI=1S/C12H10ClNO2/c1-2-16-10-4-3-8-5-9(7-15)12(13)14-11(8)6-10/h3-7H,2H2,1H3
InChIKeyIIWVEXSCELRQAP-UHFFFAOYSA-N
MW235.67 g/mol
LogP3.10
Rot. Bonds3

About 2-chloro-7-ethoxyquinoline-3-carbaldehyde

2-chloro-7-ethoxyquinoline-3-carbaldehyde (PubChem CID 767416) has the molecular formula C12H10ClNO2 and a molecular weight of 235.67 g/mol. Its IUPAC name is 2-chloro-7-ethoxyquinoline-3-carbaldehyde.

Molecular Properties

Compound Name2-chloro-7-ethoxyquinoline-3-carbaldehyde
PubChem CID767416
Molecular FormulaC12H10ClNO2
Molecular Weight235.67 g/mol
Exact Mass235.04
IUPAC Name2-chloro-7-ethoxyquinoline-3-carbaldehyde
SMILESCCOc1ccc2cc(C=O)c(Cl)nc2c1
InChIInChI=1S/C12H10ClNO2/c1-2-16-10-4-3-8-5-9(7-15)12(13)14-11(8)6-10/h3-7H,2H2,1H3
InChIKeyIIWVEXSCELRQAP-UHFFFAOYSA-N
XLogP3.10
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.67
LogP ≤ 53.10
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-ethoxyquinoline-3-carbaldehyde?
The IUPAC name of 2-chloro-7-ethoxyquinoline-3-carbaldehyde (CID 767416) is 2-chloro-7-ethoxyquinoline-3-carbaldehyde.
What is the SMILES notation for 2-chloro-7-ethoxyquinoline-3-carbaldehyde?
The canonical SMILES for 2-chloro-7-ethoxyquinoline-3-carbaldehyde is CCOc1ccc2cc(C=O)c(Cl)nc2c1.
What is the InChIKey of 2-chloro-7-ethoxyquinoline-3-carbaldehyde?
The InChIKey is IIWVEXSCELRQAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO2/c1-2-16-10-4-3-8-5-9(7-15)12(13)14-11(8)6-10/h3-7H,2H2,1H3.
What are the key properties of 2-chloro-7-ethoxyquinoline-3-carbaldehyde?
2-chloro-7-ethoxyquinoline-3-carbaldehyde has a molecular weight of 235.67 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-ethoxyquinoline-3-carbaldehyde is sourced from PubChem (CID 767416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).