4-(2,4-dichloroanilino)-6,7-dimethoxyquinoline-3-carbaldehyde

C18H14Cl2N2O3 — CID 5328893

IUPAC4-(2,4-dichloroanilino)-6,7-dimethoxyquinoline-3-carbaldehyde
SMILESCOc1cc2ncc(C=O)c(Nc3ccc(Cl)cc3Cl)c2cc1OC
InChIInChI=1S/C18H14Cl2N2O3/c1-24-16-6-12-15(7-17(16)25-2)21-8-10(9-23)18(12)22-14-4-3-11(19)5-13(14)20/h3-9H,1-2H3,(H,21,22)
InChIKeySKRRXMAIMHHNCD-UHFFFAOYSA-N
MW377.23 g/mol
LogP5.11
Rot. Bonds5

About 4-(2,4-dichloroanilino)-6,7-dimethoxyquinoline-3-carbaldehyde

4-(2,4-dichloroanilino)-6,7-dimethoxyquinoline-3-carbaldehyde (PubChem CID 5328893) has the molecular formula C18H14Cl2N2O3 and a molecular weight of 377.23 g/mol. Its IUPAC name is 4-(2,4-dichloroanilino)-6,7-dimethoxyquinoline-3-carbaldehyde.

Molecular Properties

Compound Name4-(2,4-dichloroanilino)-6,7-dimethoxyquinoline-3-carbaldehyde
PubChem CID5328893
Molecular FormulaC18H14Cl2N2O3
Molecular Weight377.23 g/mol
Exact Mass376.04
IUPAC Name4-(2,4-dichloroanilino)-6,7-dimethoxyquinoline-3-carbaldehyde
SMILESCOc1cc2ncc(C=O)c(Nc3ccc(Cl)cc3Cl)c2cc1OC
InChIInChI=1S/C18H14Cl2N2O3/c1-24-16-6-12-15(7-17(16)25-2)21-8-10(9-23)18(12)22-14-4-3-11(19)5-13(14)20/h3-9H,1-2H3,(H,21,22)
InChIKeySKRRXMAIMHHNCD-UHFFFAOYSA-N
XLogP5.11
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.23
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichloroanilino)-6,7-dimethoxyquinoline-3-carbaldehyde?
The IUPAC name of 4-(2,4-dichloroanilino)-6,7-dimethoxyquinoline-3-carbaldehyde (CID 5328893) is 4-(2,4-dichloroanilino)-6,7-dimethoxyquinoline-3-carbaldehyde.
What is the SMILES notation for 4-(2,4-dichloroanilino)-6,7-dimethoxyquinoline-3-carbaldehyde?
The canonical SMILES for 4-(2,4-dichloroanilino)-6,7-dimethoxyquinoline-3-carbaldehyde is COc1cc2ncc(C=O)c(Nc3ccc(Cl)cc3Cl)c2cc1OC.
What is the InChIKey of 4-(2,4-dichloroanilino)-6,7-dimethoxyquinoline-3-carbaldehyde?
The InChIKey is SKRRXMAIMHHNCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N2O3/c1-24-16-6-12-15(7-17(16)25-2)21-8-10(9-23)18(12)22-14-4-3-11(19)5-13(14)20/h3-9H,1-2H3,(H,21,22).
What are the key properties of 4-(2,4-dichloroanilino)-6,7-dimethoxyquinoline-3-carbaldehyde?
4-(2,4-dichloroanilino)-6,7-dimethoxyquinoline-3-carbaldehyde has a molecular weight of 377.23 g/mol, XLogP of 5.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichloroanilino)-6,7-dimethoxyquinoline-3-carbaldehyde is sourced from PubChem (CID 5328893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).