3-[2-(4-fluorophenyl)-2-oxoethyl]-2-propylquinazolin-4-one

C19H17FN2O2 — CID 4253765

IUPAC3-[2-(4-fluorophenyl)-2-oxoethyl]-2-propylquinazolin-4-one
SMILESCCCc1nc2ccccc2c(=O)n1CC(=O)c1ccc(F)cc1
InChIInChI=1S/C19H17FN2O2/c1-2-5-18-21-16-7-4-3-6-15(16)19(24)22(18)12-17(23)13-8-10-14(20)11-9-13/h3-4,6-11H,2,5,12H2,1H3
InChIKeySMKYLTPMUXGFQI-UHFFFAOYSA-N
MW324.36 g/mol
LogP3.37
Rot. Bonds5

About 3-[2-(4-fluorophenyl)-2-oxoethyl]-2-propylquinazolin-4-one

3-[2-(4-fluorophenyl)-2-oxoethyl]-2-propylquinazolin-4-one (PubChem CID 4253765) has the molecular formula C19H17FN2O2 and a molecular weight of 324.36 g/mol. Its IUPAC name is 3-[2-(4-fluorophenyl)-2-oxoethyl]-2-propylquinazolin-4-one.

Molecular Properties

Compound Name3-[2-(4-fluorophenyl)-2-oxoethyl]-2-propylquinazolin-4-one
PubChem CID4253765
Molecular FormulaC19H17FN2O2
Molecular Weight324.36 g/mol
Exact Mass324.13
IUPAC Name3-[2-(4-fluorophenyl)-2-oxoethyl]-2-propylquinazolin-4-one
SMILESCCCc1nc2ccccc2c(=O)n1CC(=O)c1ccc(F)cc1
InChIInChI=1S/C19H17FN2O2/c1-2-5-18-21-16-7-4-3-6-15(16)19(24)22(18)12-17(23)13-8-10-14(20)11-9-13/h3-4,6-11H,2,5,12H2,1H3
InChIKeySMKYLTPMUXGFQI-UHFFFAOYSA-N
XLogP3.37
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-hydroxybutyl)-2-propylquinazolin-4-one
CID 59723833
2-ethyl-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 45030837
1-[2-(4-fluorophenyl)-2-oxoethyl]-3-methylquinoxalin-2-one
CID 95921163
3-[2-(4-bromophenyl)-2-oxoethyl]-2-methylsulfanylquinazolin-4-one
CID 15626519
3-ethyl-2-[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl]sulfanylquinazolin-4-one
CID 7876084
3-phenacyl-2-(trichloromethyl)quinazolin-4-one
CID 1211503
3-(3-butyl-4-oxoquinazolin-2-yl)propanoic acid
CID 61394549
2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-3-(3-methylbutyl)quinazolin-4-one
CID 7465822
3-[4-(4-oxo-2-propylquinazolin-3-yl)phenyl]-2-propylquinazolin-4-one
CID 12631795
N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-4-fluoro-N-propylbenzamide
CID 42712056
N-[(2-chloro-4-fluorophenyl)methyl]-2-(2-ethyl-4-oxoquinazolin-3-yl)acetamide
CID 45030864
N-(4-acetylphenyl)-2-(2-ethyl-4-oxoquinazolin-3-yl)acetamide
CID 859989

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-fluorophenyl)-2-oxoethyl]-2-propylquinazolin-4-one?
The IUPAC name of 3-[2-(4-fluorophenyl)-2-oxoethyl]-2-propylquinazolin-4-one (CID 4253765) is 3-[2-(4-fluorophenyl)-2-oxoethyl]-2-propylquinazolin-4-one.
What is the SMILES notation for 3-[2-(4-fluorophenyl)-2-oxoethyl]-2-propylquinazolin-4-one?
The canonical SMILES for 3-[2-(4-fluorophenyl)-2-oxoethyl]-2-propylquinazolin-4-one is CCCc1nc2ccccc2c(=O)n1CC(=O)c1ccc(F)cc1.
What is the InChIKey of 3-[2-(4-fluorophenyl)-2-oxoethyl]-2-propylquinazolin-4-one?
The InChIKey is SMKYLTPMUXGFQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O2/c1-2-5-18-21-16-7-4-3-6-15(16)19(24)22(18)12-17(23)13-8-10-14(20)11-9-13/h3-4,6-11H,2,5,12H2,1H3.
What are the key properties of 3-[2-(4-fluorophenyl)-2-oxoethyl]-2-propylquinazolin-4-one?
3-[2-(4-fluorophenyl)-2-oxoethyl]-2-propylquinazolin-4-one has a molecular weight of 324.36 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-fluorophenyl)-2-oxoethyl]-2-propylquinazolin-4-one is sourced from PubChem (CID 4253765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).