2-[(4-fluorophenyl)methylamino]-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one

C19H16FN3O2 — CID 5297233

IUPAC2-[(4-fluorophenyl)methylamino]-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one
SMILESO=C1CC(c2ccco2)Cc2nc(NCc3ccc(F)cc3)ncc21
InChIInChI=1S/C19H16FN3O2/c20-14-5-3-12(4-6-14)10-21-19-22-11-15-16(23-19)8-13(9-17(15)24)18-2-1-7-25-18/h1-7,11,13H,8-10H2,(H,21,22,23)
InChIKeyJXQYYKJSIYFZQU-UHFFFAOYSA-N
MW337.35 g/mol
LogP3.73
Rot. Bonds4

About 2-[(4-fluorophenyl)methylamino]-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one

2-[(4-fluorophenyl)methylamino]-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 5297233) has the molecular formula C19H16FN3O2 and a molecular weight of 337.35 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methylamino]-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methylamino]-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one
PubChem CID5297233
Molecular FormulaC19H16FN3O2
Molecular Weight337.35 g/mol
Exact Mass337.12
IUPAC Name2-[(4-fluorophenyl)methylamino]-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one
SMILESO=C1CC(c2ccco2)Cc2nc(NCc3ccc(F)cc3)ncc21
InChIInChI=1S/C19H16FN3O2/c20-14-5-3-12(4-6-14)10-21-19-22-11-15-16(23-19)8-13(9-17(15)24)18-2-1-7-25-18/h1-7,11,13H,8-10H2,(H,21,22,23)
InChIKeyJXQYYKJSIYFZQU-UHFFFAOYSA-N
XLogP3.73
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methylamino]-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 2-[(4-fluorophenyl)methylamino]-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one (CID 5297233) is 2-[(4-fluorophenyl)methylamino]-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 2-[(4-fluorophenyl)methylamino]-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 2-[(4-fluorophenyl)methylamino]-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one is O=C1CC(c2ccco2)Cc2nc(NCc3ccc(F)cc3)ncc21.
What is the InChIKey of 2-[(4-fluorophenyl)methylamino]-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is JXQYYKJSIYFZQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O2/c20-14-5-3-12(4-6-14)10-21-19-22-11-15-16(23-19)8-13(9-17(15)24)18-2-1-7-25-18/h1-7,11,13H,8-10H2,(H,21,22,23).
What are the key properties of 2-[(4-fluorophenyl)methylamino]-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one?
2-[(4-fluorophenyl)methylamino]-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 337.35 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methylamino]-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 5297233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).