5-[3-[(2-fluorophenyl)methyl]-4-oxoquinazolin-7-yl]furan-2-carbaldehyde

C20H13FN2O3 — CID 169333832

IUPAC5-[3-[(2-fluorophenyl)methyl]-4-oxoquinazolin-7-yl]furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2ccc3c(=O)n(Cc4ccccc4F)cnc3c2)o1
InChIInChI=1S/C20H13FN2O3/c21-17-4-2-1-3-14(17)10-23-12-22-18-9-13(5-7-16(18)20(23)25)19-8-6-15(11-24)26-19/h1-9,11-12H,10H2
InChIKeyKIEMNAIOJMZLOF-UHFFFAOYSA-N
MW348.33 g/mol
LogP3.66
Rot. Bonds4

About 5-[3-[(2-fluorophenyl)methyl]-4-oxoquinazolin-7-yl]furan-2-carbaldehyde

5-[3-[(2-fluorophenyl)methyl]-4-oxoquinazolin-7-yl]furan-2-carbaldehyde (PubChem CID 169333832) has the molecular formula C20H13FN2O3 and a molecular weight of 348.33 g/mol. Its IUPAC name is 5-[3-[(2-fluorophenyl)methyl]-4-oxoquinazolin-7-yl]furan-2-carbaldehyde.

Molecular Properties

Compound Name5-[3-[(2-fluorophenyl)methyl]-4-oxoquinazolin-7-yl]furan-2-carbaldehyde
PubChem CID169333832
Molecular FormulaC20H13FN2O3
Molecular Weight348.33 g/mol
Exact Mass348.09
IUPAC Name5-[3-[(2-fluorophenyl)methyl]-4-oxoquinazolin-7-yl]furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2ccc3c(=O)n(Cc4ccccc4F)cnc3c2)o1
InChIInChI=1S/C20H13FN2O3/c21-17-4-2-1-3-14(17)10-23-12-22-18-9-13(5-7-16(18)20(23)25)19-8-6-15(11-24)26-19/h1-9,11-12H,10H2
InChIKeyKIEMNAIOJMZLOF-UHFFFAOYSA-N
XLogP3.66
TPSA65.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.33
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[(2-fluorophenyl)methyl]-4-oxoquinazolin-7-yl]furan-2-carbaldehyde?
The IUPAC name of 5-[3-[(2-fluorophenyl)methyl]-4-oxoquinazolin-7-yl]furan-2-carbaldehyde (CID 169333832) is 5-[3-[(2-fluorophenyl)methyl]-4-oxoquinazolin-7-yl]furan-2-carbaldehyde.
What is the SMILES notation for 5-[3-[(2-fluorophenyl)methyl]-4-oxoquinazolin-7-yl]furan-2-carbaldehyde?
The canonical SMILES for 5-[3-[(2-fluorophenyl)methyl]-4-oxoquinazolin-7-yl]furan-2-carbaldehyde is O=Cc1ccc(-c2ccc3c(=O)n(Cc4ccccc4F)cnc3c2)o1.
What is the InChIKey of 5-[3-[(2-fluorophenyl)methyl]-4-oxoquinazolin-7-yl]furan-2-carbaldehyde?
The InChIKey is KIEMNAIOJMZLOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13FN2O3/c21-17-4-2-1-3-14(17)10-23-12-22-18-9-13(5-7-16(18)20(23)25)19-8-6-15(11-24)26-19/h1-9,11-12H,10H2.
What are the key properties of 5-[3-[(2-fluorophenyl)methyl]-4-oxoquinazolin-7-yl]furan-2-carbaldehyde?
5-[3-[(2-fluorophenyl)methyl]-4-oxoquinazolin-7-yl]furan-2-carbaldehyde has a molecular weight of 348.33 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(2-fluorophenyl)methyl]-4-oxoquinazolin-7-yl]furan-2-carbaldehyde is sourced from PubChem (CID 169333832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).