2-[2-[5-(2-chlorophenyl)furan-2-yl]ethenyl]-3H-quinazolin-4-one

C20H13ClN2O2 — CID 135400006

IUPAC2-[2-[5-(2-chlorophenyl)furan-2-yl]ethenyl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(C=Cc2ccc(-c3ccccc3Cl)o2)nc2ccccc12
InChIInChI=1S/C20H13ClN2O2/c21-16-7-3-1-5-14(16)18-11-9-13(25-18)10-12-19-22-17-8-4-2-6-15(17)20(24)23-19/h1-12H,(H,22,23,24)
InChIKeyDQFOMHYCCBTKNQ-UHFFFAOYSA-N
MW348.79 g/mol
LogP5.01
Rot. Bonds3

About 2-[2-[5-(2-chlorophenyl)furan-2-yl]ethenyl]-3H-quinazolin-4-one

2-[2-[5-(2-chlorophenyl)furan-2-yl]ethenyl]-3H-quinazolin-4-one (PubChem CID 135400006) has the molecular formula C20H13ClN2O2 and a molecular weight of 348.79 g/mol. Its IUPAC name is 2-[2-[5-(2-chlorophenyl)furan-2-yl]ethenyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[2-[5-(2-chlorophenyl)furan-2-yl]ethenyl]-3H-quinazolin-4-one
PubChem CID135400006
Molecular FormulaC20H13ClN2O2
Molecular Weight348.79 g/mol
Exact Mass348.07
IUPAC Name2-[2-[5-(2-chlorophenyl)furan-2-yl]ethenyl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(C=Cc2ccc(-c3ccccc3Cl)o2)nc2ccccc12
InChIInChI=1S/C20H13ClN2O2/c21-16-7-3-1-5-14(16)18-11-9-13(25-18)10-12-19-22-17-8-4-2-6-15(17)20(24)23-19/h1-12H,(H,22,23,24)
InChIKeyDQFOMHYCCBTKNQ-UHFFFAOYSA-N
XLogP5.01
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.79
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[5-(2-chlorophenyl)furan-2-yl]ethenyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[2-[5-(2-chlorophenyl)furan-2-yl]ethenyl]-3H-quinazolin-4-one (CID 135400006) is 2-[2-[5-(2-chlorophenyl)furan-2-yl]ethenyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[2-[5-(2-chlorophenyl)furan-2-yl]ethenyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[2-[5-(2-chlorophenyl)furan-2-yl]ethenyl]-3H-quinazolin-4-one is O=c1[nH]c(C=Cc2ccc(-c3ccccc3Cl)o2)nc2ccccc12.
What is the InChIKey of 2-[2-[5-(2-chlorophenyl)furan-2-yl]ethenyl]-3H-quinazolin-4-one?
The InChIKey is DQFOMHYCCBTKNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClN2O2/c21-16-7-3-1-5-14(16)18-11-9-13(25-18)10-12-19-22-17-8-4-2-6-15(17)20(24)23-19/h1-12H,(H,22,23,24).
What are the key properties of 2-[2-[5-(2-chlorophenyl)furan-2-yl]ethenyl]-3H-quinazolin-4-one?
2-[2-[5-(2-chlorophenyl)furan-2-yl]ethenyl]-3H-quinazolin-4-one has a molecular weight of 348.79 g/mol, XLogP of 5.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[5-(2-chlorophenyl)furan-2-yl]ethenyl]-3H-quinazolin-4-one is sourced from PubChem (CID 135400006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).