6-[4-(4-fluorophenyl)-1-hydroxybutyl]-3,4-dihydro-1H-quinazolin-2-one

C18H19FN2O2 — CID 21465183

IUPAC6-[4-(4-fluorophenyl)-1-hydroxybutyl]-3,4-dihydro-1H-quinazolin-2-one
SMILESO=C1NCc2cc(C(O)CCCc3ccc(F)cc3)ccc2N1
InChIInChI=1S/C18H19FN2O2/c19-15-7-4-12(5-8-15)2-1-3-17(22)13-6-9-16-14(10-13)11-20-18(23)21-16/h4-10,17,22H,1-3,11H2,(H2,20,21,23)
InChIKeySOFNEGYBFRAZGN-UHFFFAOYSA-N
MW314.36 g/mol
LogP3.52
Rot. Bonds5

About 6-[4-(4-fluorophenyl)-1-hydroxybutyl]-3,4-dihydro-1H-quinazolin-2-one

6-[4-(4-fluorophenyl)-1-hydroxybutyl]-3,4-dihydro-1H-quinazolin-2-one (PubChem CID 21465183) has the molecular formula C18H19FN2O2 and a molecular weight of 314.36 g/mol. Its IUPAC name is 6-[4-(4-fluorophenyl)-1-hydroxybutyl]-3,4-dihydro-1H-quinazolin-2-one.

Molecular Properties

Compound Name6-[4-(4-fluorophenyl)-1-hydroxybutyl]-3,4-dihydro-1H-quinazolin-2-one
PubChem CID21465183
Molecular FormulaC18H19FN2O2
Molecular Weight314.36 g/mol
Exact Mass314.14
IUPAC Name6-[4-(4-fluorophenyl)-1-hydroxybutyl]-3,4-dihydro-1H-quinazolin-2-one
SMILESO=C1NCc2cc(C(O)CCCc3ccc(F)cc3)ccc2N1
InChIInChI=1S/C18H19FN2O2/c19-15-7-4-12(5-8-15)2-1-3-17(22)13-6-9-16-14(10-13)11-20-18(23)21-16/h4-10,17,22H,1-3,11H2,(H2,20,21,23)
InChIKeySOFNEGYBFRAZGN-UHFFFAOYSA-N
XLogP3.52
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 53.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-fluorophenyl)-1-hydroxybutyl]-3,4-dihydro-1H-quinazolin-2-one?
The IUPAC name of 6-[4-(4-fluorophenyl)-1-hydroxybutyl]-3,4-dihydro-1H-quinazolin-2-one (CID 21465183) is 6-[4-(4-fluorophenyl)-1-hydroxybutyl]-3,4-dihydro-1H-quinazolin-2-one.
What is the SMILES notation for 6-[4-(4-fluorophenyl)-1-hydroxybutyl]-3,4-dihydro-1H-quinazolin-2-one?
The canonical SMILES for 6-[4-(4-fluorophenyl)-1-hydroxybutyl]-3,4-dihydro-1H-quinazolin-2-one is O=C1NCc2cc(C(O)CCCc3ccc(F)cc3)ccc2N1.
What is the InChIKey of 6-[4-(4-fluorophenyl)-1-hydroxybutyl]-3,4-dihydro-1H-quinazolin-2-one?
The InChIKey is SOFNEGYBFRAZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O2/c19-15-7-4-12(5-8-15)2-1-3-17(22)13-6-9-16-14(10-13)11-20-18(23)21-16/h4-10,17,22H,1-3,11H2,(H2,20,21,23).
What are the key properties of 6-[4-(4-fluorophenyl)-1-hydroxybutyl]-3,4-dihydro-1H-quinazolin-2-one?
6-[4-(4-fluorophenyl)-1-hydroxybutyl]-3,4-dihydro-1H-quinazolin-2-one has a molecular weight of 314.36 g/mol, XLogP of 3.52, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-fluorophenyl)-1-hydroxybutyl]-3,4-dihydro-1H-quinazolin-2-one is sourced from PubChem (CID 21465183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).