6-(4-benzoylbenzoyl)-5,7-dihydro-4H-furo[2,3-c]pyridine-2-carbaldehyde

C22H17NO4 — CID 19599916

IUPAC6-(4-benzoylbenzoyl)-5,7-dihydro-4H-furo[2,3-c]pyridine-2-carbaldehyde
SMILESO=Cc1cc2c(o1)CN(C(=O)c1ccc(C(=O)c3ccccc3)cc1)CC2
InChIInChI=1S/C22H17NO4/c24-14-19-12-18-10-11-23(13-20(18)27-19)22(26)17-8-6-16(7-9-17)21(25)15-4-2-1-3-5-15/h1-9,12,14H,10-11,13H2
InChIKeyZTFJFDNIFUXVJH-UHFFFAOYSA-N
MW359.38 g/mol
LogP3.52
Rot. Bonds4

About 6-(4-benzoylbenzoyl)-5,7-dihydro-4H-furo[2,3-c]pyridine-2-carbaldehyde

6-(4-benzoylbenzoyl)-5,7-dihydro-4H-furo[2,3-c]pyridine-2-carbaldehyde (PubChem CID 19599916) has the molecular formula C22H17NO4 and a molecular weight of 359.38 g/mol. Its IUPAC name is 6-(4-benzoylbenzoyl)-5,7-dihydro-4H-furo[2,3-c]pyridine-2-carbaldehyde.

Molecular Properties

Compound Name6-(4-benzoylbenzoyl)-5,7-dihydro-4H-furo[2,3-c]pyridine-2-carbaldehyde
PubChem CID19599916
Molecular FormulaC22H17NO4
Molecular Weight359.38 g/mol
Exact Mass359.12
IUPAC Name6-(4-benzoylbenzoyl)-5,7-dihydro-4H-furo[2,3-c]pyridine-2-carbaldehyde
SMILESO=Cc1cc2c(o1)CN(C(=O)c1ccc(C(=O)c3ccccc3)cc1)CC2
InChIInChI=1S/C22H17NO4/c24-14-19-12-18-10-11-23(13-20(18)27-19)22(26)17-8-6-16(7-9-17)21(25)15-4-2-1-3-5-15/h1-9,12,14H,10-11,13H2
InChIKeyZTFJFDNIFUXVJH-UHFFFAOYSA-N
XLogP3.52
TPSA67.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(4-benzoylbenzoyl)-5,7-dihydro-4H-furo[2,3-c]pyridine-2-carbaldehyde?
The IUPAC name of 6-(4-benzoylbenzoyl)-5,7-dihydro-4H-furo[2,3-c]pyridine-2-carbaldehyde (CID 19599916) is 6-(4-benzoylbenzoyl)-5,7-dihydro-4H-furo[2,3-c]pyridine-2-carbaldehyde.
What is the SMILES notation for 6-(4-benzoylbenzoyl)-5,7-dihydro-4H-furo[2,3-c]pyridine-2-carbaldehyde?
The canonical SMILES for 6-(4-benzoylbenzoyl)-5,7-dihydro-4H-furo[2,3-c]pyridine-2-carbaldehyde is O=Cc1cc2c(o1)CN(C(=O)c1ccc(C(=O)c3ccccc3)cc1)CC2.
What is the InChIKey of 6-(4-benzoylbenzoyl)-5,7-dihydro-4H-furo[2,3-c]pyridine-2-carbaldehyde?
The InChIKey is ZTFJFDNIFUXVJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO4/c24-14-19-12-18-10-11-23(13-20(18)27-19)22(26)17-8-6-16(7-9-17)21(25)15-4-2-1-3-5-15/h1-9,12,14H,10-11,13H2.
What are the key properties of 6-(4-benzoylbenzoyl)-5,7-dihydro-4H-furo[2,3-c]pyridine-2-carbaldehyde?
6-(4-benzoylbenzoyl)-5,7-dihydro-4H-furo[2,3-c]pyridine-2-carbaldehyde has a molecular weight of 359.38 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-benzoylbenzoyl)-5,7-dihydro-4H-furo[2,3-c]pyridine-2-carbaldehyde is sourced from PubChem (CID 19599916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).