5-quinazolin-5-ylfuran-2-carbaldehyde

C13H8N2O2 — CID 169335692

IUPAC5-quinazolin-5-ylfuran-2-carbaldehyde
SMILESO=Cc1ccc(-c2cccc3ncncc23)o1
InChIInChI=1S/C13H8N2O2/c16-7-9-4-5-13(17-9)10-2-1-3-12-11(10)6-14-8-15-12/h1-8H
InChIKeyKFUCOXKUUZJAFJ-UHFFFAOYSA-N
MW224.22 g/mol
LogP2.70
Rot. Bonds2

About 5-quinazolin-5-ylfuran-2-carbaldehyde

5-quinazolin-5-ylfuran-2-carbaldehyde (PubChem CID 169335692) has the molecular formula C13H8N2O2 and a molecular weight of 224.22 g/mol. Its IUPAC name is 5-quinazolin-5-ylfuran-2-carbaldehyde.

Molecular Properties

Compound Name5-quinazolin-5-ylfuran-2-carbaldehyde
PubChem CID169335692
Molecular FormulaC13H8N2O2
Molecular Weight224.22 g/mol
Exact Mass224.06
IUPAC Name5-quinazolin-5-ylfuran-2-carbaldehyde
SMILESO=Cc1ccc(-c2cccc3ncncc23)o1
InChIInChI=1S/C13H8N2O2/c16-7-9-4-5-13(17-9)10-2-1-3-12-11(10)6-14-8-15-12/h1-8H
InChIKeyKFUCOXKUUZJAFJ-UHFFFAOYSA-N
XLogP2.70
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

quinazoline-5-carbaldehyde
CID 19919699
5-(5-bromonaphthalen-1-yl)furan-2-carbaldehyde
CID 169331923
5-dibenzofuran-1-ylfuran-2-carbaldehyde
CID 169332087
5-(3-chloroquinolin-8-yl)furan-2-carbaldehyde
CID 169332397
5-(4-methylnaphthalen-1-yl)furan-2-carbaldehyde
CID 106888456
5-[2-(2,2-dimethylpropoxy)-3-fluorophenyl]furan-2-carbaldehyde
CID 169334993
5-(3-fluoro-4-pyridinyl)furan-2-carbaldehyde
CID 103840994
5-(4-methyl-3-pyridinyl)furan-2-carbaldehyde
CID 103840991
5-(2-methylquinolin-8-yl)furan-2-carbaldehyde
CID 55152319
cyclohepta[d]pyrimidin-5-one
CID 166653681
5-[2-(benzimidazole-1-carbonyl)phenyl]furan-2-carbaldehyde
CID 169332261
8-(5-formylfuran-2-yl)quinoline-2-carboxylic acid
CID 169335149

Frequently Asked Questions

What is the IUPAC name of 5-quinazolin-5-ylfuran-2-carbaldehyde?
The IUPAC name of 5-quinazolin-5-ylfuran-2-carbaldehyde (CID 169335692) is 5-quinazolin-5-ylfuran-2-carbaldehyde.
What is the SMILES notation for 5-quinazolin-5-ylfuran-2-carbaldehyde?
The canonical SMILES for 5-quinazolin-5-ylfuran-2-carbaldehyde is O=Cc1ccc(-c2cccc3ncncc23)o1.
What is the InChIKey of 5-quinazolin-5-ylfuran-2-carbaldehyde?
The InChIKey is KFUCOXKUUZJAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N2O2/c16-7-9-4-5-13(17-9)10-2-1-3-12-11(10)6-14-8-15-12/h1-8H.
What are the key properties of 5-quinazolin-5-ylfuran-2-carbaldehyde?
5-quinazolin-5-ylfuran-2-carbaldehyde has a molecular weight of 224.22 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-quinazolin-5-ylfuran-2-carbaldehyde is sourced from PubChem (CID 169335692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).