3-[2-[3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]quinazolin-4-one

C23H22FN3O2 — CID 16674918

IUPAC3-[2-[3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]quinazolin-4-one
SMILESO=C(Cn1cnc2ccccc2c1=O)N1C2CCC1CC(c1ccc(F)cc1)C2
InChIInChI=1S/C23H22FN3O2/c24-17-7-5-15(6-8-17)16-11-18-9-10-19(12-16)27(18)22(28)13-26-14-25-21-4-2-1-3-20(21)23(26)29/h1-8,14,16,18-19H,9-13H2
InChIKeyGYOVSHGSBQQYOW-UHFFFAOYSA-N
MW391.45 g/mol
LogP3.47
Rot. Bonds3

About 3-[2-[3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]quinazolin-4-one

3-[2-[3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]quinazolin-4-one (PubChem CID 16674918) has the molecular formula C23H22FN3O2 and a molecular weight of 391.45 g/mol. Its IUPAC name is 3-[2-[3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]quinazolin-4-one.

Molecular Properties

Compound Name3-[2-[3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]quinazolin-4-one
PubChem CID16674918
Molecular FormulaC23H22FN3O2
Molecular Weight391.45 g/mol
Exact Mass391.17
IUPAC Name3-[2-[3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]quinazolin-4-one
SMILESO=C(Cn1cnc2ccccc2c1=O)N1C2CCC1CC(c1ccc(F)cc1)C2
InChIInChI=1S/C23H22FN3O2/c24-17-7-5-15(6-8-17)16-11-18-9-10-19(12-16)27(18)22(28)13-26-14-25-21-4-2-1-3-20(21)23(26)29/h1-8,14,16,18-19H,9-13H2
InChIKeyGYOVSHGSBQQYOW-UHFFFAOYSA-N
XLogP3.47
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[2-[3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]quinazolin-4-one with MolForge

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Related Compounds

3-[2-oxo-2-(3-pyrazol-1-yl-8-azabicyclo[3.2.1]octan-8-yl)ethyl]quinazolin-4-one
CID 134161536
[(1R,5R)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-quinolin-5-ylmethanone
CID 98066976
3-(2-oxo-2-pyrrolidin-1-ylethyl)quinazolin-4-one
CID 4908291
3-[2-oxo-2-(2-thia-5-azabicyclo[2.2.1]heptan-5-yl)ethyl]quinazolin-4-one
CID 122272666
3-[3-[(1R,5S)-3-methylsulfonyl-8-azabicyclo[3.2.1]octan-8-yl]-3-oxopropyl]quinazolin-4-one
CID 129373882
N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 71897909
3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 7874856
N-[(Z)-(4-fluorophenyl)methylideneamino]-2-(4-oxoquinazolin-3-yl)acetamide
CID 6209329
ethyl (1S,2S,4R)-2-ethyl-7-[2-(4-oxoquinazolin-3-yl)acetyl]-7-azabicyclo[2.2.1]heptane-2-carboxylate
CID 164691384
3-[2-[(4S,5S)-4-(2-fluorophenoxy)-5-hydroxyazepan-1-yl]-2-oxoethyl]quinazolin-4-one
CID 110164483
3-[2-[3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 119100380
N'-[2-(4-fluorophenoxy)acetyl]-2-(4-oxoquinazolin-3-yl)acetohydrazide
CID 7910774

Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]quinazolin-4-one?
The IUPAC name of 3-[2-[3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]quinazolin-4-one (CID 16674918) is 3-[2-[3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]quinazolin-4-one.
What is the SMILES notation for 3-[2-[3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]quinazolin-4-one?
The canonical SMILES for 3-[2-[3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]quinazolin-4-one is O=C(Cn1cnc2ccccc2c1=O)N1C2CCC1CC(c1ccc(F)cc1)C2.
What is the InChIKey of 3-[2-[3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]quinazolin-4-one?
The InChIKey is GYOVSHGSBQQYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O2/c24-17-7-5-15(6-8-17)16-11-18-9-10-19(12-16)27(18)22(28)13-26-14-25-21-4-2-1-3-20(21)23(26)29/h1-8,14,16,18-19H,9-13H2.
What are the key properties of 3-[2-[3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]quinazolin-4-one?
3-[2-[3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]quinazolin-4-one has a molecular weight of 391.45 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]quinazolin-4-one is sourced from PubChem (CID 16674918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).