4-(4-methylthiophen-2-yl)quinoline-6-carbaldehyde

C15H11NOS — CID 87632317

IUPAC4-(4-methylthiophen-2-yl)quinoline-6-carbaldehyde
SMILESCc1csc(-c2ccnc3ccc(C=O)cc23)c1
InChIInChI=1S/C15H11NOS/c1-10-6-15(18-9-10)12-4-5-16-14-3-2-11(8-17)7-13(12)14/h2-9H,1H3
InChIKeyDBLRJRZUEXMIIQ-UHFFFAOYSA-N
MW253.33 g/mol
LogP4.08
Rot. Bonds2

About 4-(4-methylthiophen-2-yl)quinoline-6-carbaldehyde

4-(4-methylthiophen-2-yl)quinoline-6-carbaldehyde (PubChem CID 87632317) has the molecular formula C15H11NOS and a molecular weight of 253.33 g/mol. Its IUPAC name is 4-(4-methylthiophen-2-yl)quinoline-6-carbaldehyde.

Molecular Properties

Compound Name4-(4-methylthiophen-2-yl)quinoline-6-carbaldehyde
PubChem CID87632317
Molecular FormulaC15H11NOS
Molecular Weight253.33 g/mol
Exact Mass253.06
IUPAC Name4-(4-methylthiophen-2-yl)quinoline-6-carbaldehyde
SMILESCc1csc(-c2ccnc3ccc(C=O)cc23)c1
InChIInChI=1S/C15H11NOS/c1-10-6-15(18-9-10)12-4-5-16-14-3-2-11(8-17)7-13(12)14/h2-9H,1H3
InChIKeyDBLRJRZUEXMIIQ-UHFFFAOYSA-N
XLogP4.08
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(4-methylthiophen-2-yl)quinoline-6-carbaldehyde?
The IUPAC name of 4-(4-methylthiophen-2-yl)quinoline-6-carbaldehyde (CID 87632317) is 4-(4-methylthiophen-2-yl)quinoline-6-carbaldehyde.
What is the SMILES notation for 4-(4-methylthiophen-2-yl)quinoline-6-carbaldehyde?
The canonical SMILES for 4-(4-methylthiophen-2-yl)quinoline-6-carbaldehyde is Cc1csc(-c2ccnc3ccc(C=O)cc23)c1.
What is the InChIKey of 4-(4-methylthiophen-2-yl)quinoline-6-carbaldehyde?
The InChIKey is DBLRJRZUEXMIIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NOS/c1-10-6-15(18-9-10)12-4-5-16-14-3-2-11(8-17)7-13(12)14/h2-9H,1H3.
What are the key properties of 4-(4-methylthiophen-2-yl)quinoline-6-carbaldehyde?
4-(4-methylthiophen-2-yl)quinoline-6-carbaldehyde has a molecular weight of 253.33 g/mol, XLogP of 4.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylthiophen-2-yl)quinoline-6-carbaldehyde is sourced from PubChem (CID 87632317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).