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

C18H11ClN2O2 — CID 135452687

IUPAC2-[5-(3-chlorophenyl)furan-2-yl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2ccc(-c3cccc(Cl)c3)o2)nc2ccccc12
InChIInChI=1S/C18H11ClN2O2/c19-12-5-3-4-11(10-12)15-8-9-16(23-15)17-20-14-7-2-1-6-13(14)18(22)21-17/h1-10H,(H,20,21,22)
InChIKeyHNUSJPTYXPMREL-UHFFFAOYSA-N
MW322.75 g/mol
LogP4.50
Rot. Bonds2

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

2-[5-(3-chlorophenyl)furan-2-yl]-3H-quinazolin-4-one (PubChem CID 135452687) has the molecular formula C18H11ClN2O2 and a molecular weight of 322.75 g/mol. Its IUPAC name is 2-[5-(3-chlorophenyl)furan-2-yl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[5-(3-chlorophenyl)furan-2-yl]-3H-quinazolin-4-one
PubChem CID135452687
Molecular FormulaC18H11ClN2O2
Molecular Weight322.75 g/mol
Exact Mass322.05
IUPAC Name2-[5-(3-chlorophenyl)furan-2-yl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2ccc(-c3cccc(Cl)c3)o2)nc2ccccc12
InChIInChI=1S/C18H11ClN2O2/c19-12-5-3-4-11(10-12)15-8-9-16(23-15)17-20-14-7-2-1-6-13(14)18(22)21-17/h1-10H,(H,20,21,22)
InChIKeyHNUSJPTYXPMREL-UHFFFAOYSA-N
XLogP4.50
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.75
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-chlorophenyl)furan-2-yl]-3H-quinazolin-4-one?
The IUPAC name of 2-[5-(3-chlorophenyl)furan-2-yl]-3H-quinazolin-4-one (CID 135452687) is 2-[5-(3-chlorophenyl)furan-2-yl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[5-(3-chlorophenyl)furan-2-yl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[5-(3-chlorophenyl)furan-2-yl]-3H-quinazolin-4-one is O=c1[nH]c(-c2ccc(-c3cccc(Cl)c3)o2)nc2ccccc12.
What is the InChIKey of 2-[5-(3-chlorophenyl)furan-2-yl]-3H-quinazolin-4-one?
The InChIKey is HNUSJPTYXPMREL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClN2O2/c19-12-5-3-4-11(10-12)15-8-9-16(23-15)17-20-14-7-2-1-6-13(14)18(22)21-17/h1-10H,(H,20,21,22).
What are the key properties of 2-[5-(3-chlorophenyl)furan-2-yl]-3H-quinazolin-4-one?
2-[5-(3-chlorophenyl)furan-2-yl]-3H-quinazolin-4-one has a molecular weight of 322.75 g/mol, XLogP of 4.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-chlorophenyl)furan-2-yl]-3H-quinazolin-4-one is sourced from PubChem (CID 135452687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).