9-(5-pyridin-4-ylfuran-2-yl)sulfanylacridine

C22H14N2OS — CID 118429102

IUPAC9-(5-pyridin-4-ylfuran-2-yl)sulfanylacridine
SMILESc1ccc2c(Sc3ccc(-c4ccncc4)o3)c3ccccc3nc2c1
InChIInChI=1S/C22H14N2OS/c1-3-7-18-16(5-1)22(17-6-2-4-8-19(17)24-18)26-21-10-9-20(25-21)15-11-13-23-14-12-15/h1-14H
InChIKeyRHQADHURHSMKJV-UHFFFAOYSA-N
MW354.43 g/mol
LogP6.19
Rot. Bonds3

About 9-(5-pyridin-4-ylfuran-2-yl)sulfanylacridine

9-(5-pyridin-4-ylfuran-2-yl)sulfanylacridine (PubChem CID 118429102) has the molecular formula C22H14N2OS and a molecular weight of 354.43 g/mol. Its IUPAC name is 9-(5-pyridin-4-ylfuran-2-yl)sulfanylacridine.

Molecular Properties

Compound Name9-(5-pyridin-4-ylfuran-2-yl)sulfanylacridine
PubChem CID118429102
Molecular FormulaC22H14N2OS
Molecular Weight354.43 g/mol
Exact Mass354.08
IUPAC Name9-(5-pyridin-4-ylfuran-2-yl)sulfanylacridine
SMILESc1ccc2c(Sc3ccc(-c4ccncc4)o3)c3ccccc3nc2c1
InChIInChI=1S/C22H14N2OS/c1-3-7-18-16(5-1)22(17-6-2-4-8-19(17)24-18)26-21-10-9-20(25-21)15-11-13-23-14-12-15/h1-14H
InChIKeyRHQADHURHSMKJV-UHFFFAOYSA-N
XLogP6.19
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.43
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-(5-pyridin-4-ylfuran-2-yl)sulfanylacridine?
The IUPAC name of 9-(5-pyridin-4-ylfuran-2-yl)sulfanylacridine (CID 118429102) is 9-(5-pyridin-4-ylfuran-2-yl)sulfanylacridine.
What is the SMILES notation for 9-(5-pyridin-4-ylfuran-2-yl)sulfanylacridine?
The canonical SMILES for 9-(5-pyridin-4-ylfuran-2-yl)sulfanylacridine is c1ccc2c(Sc3ccc(-c4ccncc4)o3)c3ccccc3nc2c1.
What is the InChIKey of 9-(5-pyridin-4-ylfuran-2-yl)sulfanylacridine?
The InChIKey is RHQADHURHSMKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N2OS/c1-3-7-18-16(5-1)22(17-6-2-4-8-19(17)24-18)26-21-10-9-20(25-21)15-11-13-23-14-12-15/h1-14H.
What are the key properties of 9-(5-pyridin-4-ylfuran-2-yl)sulfanylacridine?
9-(5-pyridin-4-ylfuran-2-yl)sulfanylacridine has a molecular weight of 354.43 g/mol, XLogP of 6.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(5-pyridin-4-ylfuran-2-yl)sulfanylacridine is sourced from PubChem (CID 118429102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).