3-ethyl-2-[5-(4-fluorophenyl)furan-2-yl]-1,2-dihydroquinazolin-4-one

C20H17FN2O2 — CID 51114892

IUPAC3-ethyl-2-[5-(4-fluorophenyl)furan-2-yl]-1,2-dihydroquinazolin-4-one
SMILESCCN1C(=O)c2ccccc2NC1c1ccc(-c2ccc(F)cc2)o1
InChIInChI=1S/C20H17FN2O2/c1-2-23-19(22-16-6-4-3-5-15(16)20(23)24)18-12-11-17(25-18)13-7-9-14(21)10-8-13/h3-12,19,22H,2H2,1H3
InChIKeyMMGDGTHJQZDINH-UHFFFAOYSA-N
MW336.37 g/mol
LogP4.67
Rot. Bonds3

About 3-ethyl-2-[5-(4-fluorophenyl)furan-2-yl]-1,2-dihydroquinazolin-4-one

3-ethyl-2-[5-(4-fluorophenyl)furan-2-yl]-1,2-dihydroquinazolin-4-one (PubChem CID 51114892) has the molecular formula C20H17FN2O2 and a molecular weight of 336.37 g/mol. Its IUPAC name is 3-ethyl-2-[5-(4-fluorophenyl)furan-2-yl]-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name3-ethyl-2-[5-(4-fluorophenyl)furan-2-yl]-1,2-dihydroquinazolin-4-one
PubChem CID51114892
Molecular FormulaC20H17FN2O2
Molecular Weight336.37 g/mol
Exact Mass336.13
IUPAC Name3-ethyl-2-[5-(4-fluorophenyl)furan-2-yl]-1,2-dihydroquinazolin-4-one
SMILESCCN1C(=O)c2ccccc2NC1c1ccc(-c2ccc(F)cc2)o1
InChIInChI=1S/C20H17FN2O2/c1-2-23-19(22-16-6-4-3-5-15(16)20(23)24)18-12-11-17(25-18)13-7-9-14(21)10-8-13/h3-12,19,22H,2H2,1H3
InChIKeyMMGDGTHJQZDINH-UHFFFAOYSA-N
XLogP4.67
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-[5-(4-fluorophenyl)furan-2-yl]-1,2-dihydroquinazolin-4-one?
The IUPAC name of 3-ethyl-2-[5-(4-fluorophenyl)furan-2-yl]-1,2-dihydroquinazolin-4-one (CID 51114892) is 3-ethyl-2-[5-(4-fluorophenyl)furan-2-yl]-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 3-ethyl-2-[5-(4-fluorophenyl)furan-2-yl]-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 3-ethyl-2-[5-(4-fluorophenyl)furan-2-yl]-1,2-dihydroquinazolin-4-one is CCN1C(=O)c2ccccc2NC1c1ccc(-c2ccc(F)cc2)o1.
What is the InChIKey of 3-ethyl-2-[5-(4-fluorophenyl)furan-2-yl]-1,2-dihydroquinazolin-4-one?
The InChIKey is MMGDGTHJQZDINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O2/c1-2-23-19(22-16-6-4-3-5-15(16)20(23)24)18-12-11-17(25-18)13-7-9-14(21)10-8-13/h3-12,19,22H,2H2,1H3.
What are the key properties of 3-ethyl-2-[5-(4-fluorophenyl)furan-2-yl]-1,2-dihydroquinazolin-4-one?
3-ethyl-2-[5-(4-fluorophenyl)furan-2-yl]-1,2-dihydroquinazolin-4-one has a molecular weight of 336.37 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-[5-(4-fluorophenyl)furan-2-yl]-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 51114892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).