5-acridin-2-ylfuran-2-carbaldehyde

C18H11NO2 — CID 169333174

IUPAC5-acridin-2-ylfuran-2-carbaldehyde
SMILESO=Cc1ccc(-c2ccc3nc4ccccc4cc3c2)o1
InChIInChI=1S/C18H11NO2/c20-11-15-6-8-18(21-15)13-5-7-17-14(10-13)9-12-3-1-2-4-16(12)19-17/h1-11H
InChIKeyJLLUGCBMWWILHH-UHFFFAOYSA-N
MW273.29 g/mol
LogP4.46
Rot. Bonds2

About 5-acridin-2-ylfuran-2-carbaldehyde

5-acridin-2-ylfuran-2-carbaldehyde (PubChem CID 169333174) has the molecular formula C18H11NO2 and a molecular weight of 273.29 g/mol. Its IUPAC name is 5-acridin-2-ylfuran-2-carbaldehyde.

Molecular Properties

Compound Name5-acridin-2-ylfuran-2-carbaldehyde
PubChem CID169333174
Molecular FormulaC18H11NO2
Molecular Weight273.29 g/mol
Exact Mass273.08
IUPAC Name5-acridin-2-ylfuran-2-carbaldehyde
SMILESO=Cc1ccc(-c2ccc3nc4ccccc4cc3c2)o1
InChIInChI=1S/C18H11NO2/c20-11-15-6-8-18(21-15)13-5-7-17-14(10-13)9-12-3-1-2-4-16(12)19-17/h1-11H
InChIKeyJLLUGCBMWWILHH-UHFFFAOYSA-N
XLogP4.46
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[2-(2-chlorophenyl)-1,3-benzoxazol-6-yl]furan-2-carbaldehyde
CID 169333831
5-[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]furan-2-carbaldehyde
CID 169334915
5-(4-naphthalen-2-yloxyphenyl)furan-2-carbaldehyde
CID 169334590
5-[2-[4-(dimethylamino)phenyl]-1,3-benzoxazol-5-yl]furan-2-carbaldehyde
CID 169334400
5-(1,2-dimethylbenzimidazol-5-yl)furan-2-carbaldehyde
CID 169334354
5-(2,3-dimethylindazol-5-yl)furan-2-carbaldehyde
CID 169335056
5-(1,2-benzoxazol-6-yl)furan-2-carbaldehyde
CID 169335702
5-(2-benzylsulfonyl-1,3-benzothiazol-6-yl)furan-2-carbaldehyde
CID 169334876
5-benzo[b][1]benzoxepin-2-ylfuran-2-carbaldehyde
CID 169336117
5-(4-formylphenyl)furan-2-carbaldehyde
CID 7183276
acridine
CID 21226281
5-(8-amino-5-quinolin-6-ylimidazo[1,2-a]pyrazin-6-yl)furan-2-carbaldehyde
CID 137393740

Frequently Asked Questions

What is the IUPAC name of 5-acridin-2-ylfuran-2-carbaldehyde?
The IUPAC name of 5-acridin-2-ylfuran-2-carbaldehyde (CID 169333174) is 5-acridin-2-ylfuran-2-carbaldehyde.
What is the SMILES notation for 5-acridin-2-ylfuran-2-carbaldehyde?
The canonical SMILES for 5-acridin-2-ylfuran-2-carbaldehyde is O=Cc1ccc(-c2ccc3nc4ccccc4cc3c2)o1.
What is the InChIKey of 5-acridin-2-ylfuran-2-carbaldehyde?
The InChIKey is JLLUGCBMWWILHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11NO2/c20-11-15-6-8-18(21-15)13-5-7-17-14(10-13)9-12-3-1-2-4-16(12)19-17/h1-11H.
What are the key properties of 5-acridin-2-ylfuran-2-carbaldehyde?
5-acridin-2-ylfuran-2-carbaldehyde has a molecular weight of 273.29 g/mol, XLogP of 4.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acridin-2-ylfuran-2-carbaldehyde is sourced from PubChem (CID 169333174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).