7-(4-fluorophenyl)-2-morpholin-4-yl-7,8-dihydro-6H-quinazolin-5-one

C18H18FN3O2 — CID 3246781

IUPAC7-(4-fluorophenyl)-2-morpholin-4-yl-7,8-dihydro-6H-quinazolin-5-one
SMILESO=C1CC(c2ccc(F)cc2)Cc2nc(N3CCOCC3)ncc21
InChIInChI=1S/C18H18FN3O2/c19-14-3-1-12(2-4-14)13-9-16-15(17(23)10-13)11-20-18(21-16)22-5-7-24-8-6-22/h1-4,11,13H,5-10H2
InChIKeySAGOFKBTSXBOIX-UHFFFAOYSA-N
MW327.36 g/mol
LogP2.37
Rot. Bonds2

About 7-(4-fluorophenyl)-2-morpholin-4-yl-7,8-dihydro-6H-quinazolin-5-one

7-(4-fluorophenyl)-2-morpholin-4-yl-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 3246781) has the molecular formula C18H18FN3O2 and a molecular weight of 327.36 g/mol. Its IUPAC name is 7-(4-fluorophenyl)-2-morpholin-4-yl-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name7-(4-fluorophenyl)-2-morpholin-4-yl-7,8-dihydro-6H-quinazolin-5-one
PubChem CID3246781
Molecular FormulaC18H18FN3O2
Molecular Weight327.36 g/mol
Exact Mass327.14
IUPAC Name7-(4-fluorophenyl)-2-morpholin-4-yl-7,8-dihydro-6H-quinazolin-5-one
SMILESO=C1CC(c2ccc(F)cc2)Cc2nc(N3CCOCC3)ncc21
InChIInChI=1S/C18H18FN3O2/c19-14-3-1-12(2-4-14)13-9-16-15(17(23)10-13)11-20-18(21-16)22-5-7-24-8-6-22/h1-4,11,13H,5-10H2
InChIKeySAGOFKBTSXBOIX-UHFFFAOYSA-N
XLogP2.37
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(4-fluorophenyl)-2-morpholin-4-yl-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 7-(4-fluorophenyl)-2-morpholin-4-yl-7,8-dihydro-6H-quinazolin-5-one (CID 3246781) is 7-(4-fluorophenyl)-2-morpholin-4-yl-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 7-(4-fluorophenyl)-2-morpholin-4-yl-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 7-(4-fluorophenyl)-2-morpholin-4-yl-7,8-dihydro-6H-quinazolin-5-one is O=C1CC(c2ccc(F)cc2)Cc2nc(N3CCOCC3)ncc21.
What is the InChIKey of 7-(4-fluorophenyl)-2-morpholin-4-yl-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is SAGOFKBTSXBOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O2/c19-14-3-1-12(2-4-14)13-9-16-15(17(23)10-13)11-20-18(21-16)22-5-7-24-8-6-22/h1-4,11,13H,5-10H2.
What are the key properties of 7-(4-fluorophenyl)-2-morpholin-4-yl-7,8-dihydro-6H-quinazolin-5-one?
7-(4-fluorophenyl)-2-morpholin-4-yl-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 327.36 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluorophenyl)-2-morpholin-4-yl-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 3246781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).