3-[2-(2,5-diethylphenyl)-2-oxoethyl]-7-fluoroquinazolin-4-one

C20H19FN2O2 — CID 40743883

IUPAC3-[2-(2,5-diethylphenyl)-2-oxoethyl]-7-fluoroquinazolin-4-one
SMILESCCc1ccc(CC)c(C(=O)Cn2cnc3cc(F)ccc3c2=O)c1
InChIInChI=1S/C20H19FN2O2/c1-3-13-5-6-14(4-2)17(9-13)19(24)11-23-12-22-18-10-15(21)7-8-16(18)20(23)25/h5-10,12H,3-4,11H2,1-2H3
InChIKeySOEKPZJXRKIWST-UHFFFAOYSA-N
MW338.38 g/mol
LogP3.54
Rot. Bonds5

About 3-[2-(2,5-diethylphenyl)-2-oxoethyl]-7-fluoroquinazolin-4-one

3-[2-(2,5-diethylphenyl)-2-oxoethyl]-7-fluoroquinazolin-4-one (PubChem CID 40743883) has the molecular formula C20H19FN2O2 and a molecular weight of 338.38 g/mol. Its IUPAC name is 3-[2-(2,5-diethylphenyl)-2-oxoethyl]-7-fluoroquinazolin-4-one.

Molecular Properties

Compound Name3-[2-(2,5-diethylphenyl)-2-oxoethyl]-7-fluoroquinazolin-4-one
PubChem CID40743883
Molecular FormulaC20H19FN2O2
Molecular Weight338.38 g/mol
Exact Mass338.14
IUPAC Name3-[2-(2,5-diethylphenyl)-2-oxoethyl]-7-fluoroquinazolin-4-one
SMILESCCc1ccc(CC)c(C(=O)Cn2cnc3cc(F)ccc3c2=O)c1
InChIInChI=1S/C20H19FN2O2/c1-3-13-5-6-14(4-2)17(9-13)19(24)11-23-12-22-18-10-15(21)7-8-16(18)20(23)25/h5-10,12H,3-4,11H2,1-2H3
InChIKeySOEKPZJXRKIWST-UHFFFAOYSA-N
XLogP3.54
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-7-fluoroquinazolin-4-one
CID 40743761
7-fluoro-3-[2-(2-methoxy-5-methylphenyl)-2-oxoethyl]quinazolin-4-one
CID 47088424
7-fluoro-3-[2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]quinazolin-4-one
CID 51259521
3-[2-(2,5-diethylphenyl)-2-oxoethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
CID 7629930
N-[[4-(ethoxymethyl)phenyl]methyl]-2-(7-fluoro-4-oxoquinazolin-3-yl)acetamide
CID 167848621
7-fluoro-3-[(4-methylphenyl)methyl]quinazolin-4-one
CID 40743657
3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-7-fluoroquinazolin-4-one
CID 40743890
N-benzyl-2-(7-fluoro-4-oxoquinazolin-3-yl)-N-propan-2-ylacetamide
CID 40743682
N-(2-ethylphenyl)-2-[[2-(7-fluoro-4-oxoquinazolin-3-yl)acetyl]amino]acetamide
CID 40750672
2-(7-fluoro-4-oxoquinazolin-3-yl)-N-(4-methylphenyl)acetamide
CID 40743532
3-(7-fluoro-4-oxoquinazolin-3-yl)propanoic acid
CID 112707958
2-(7-fluoro-4-oxoquinazolin-3-yl)-N-[1-[4-(2-methylpropyl)phenyl]ethyl]acetamide
CID 55443771

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,5-diethylphenyl)-2-oxoethyl]-7-fluoroquinazolin-4-one?
The IUPAC name of 3-[2-(2,5-diethylphenyl)-2-oxoethyl]-7-fluoroquinazolin-4-one (CID 40743883) is 3-[2-(2,5-diethylphenyl)-2-oxoethyl]-7-fluoroquinazolin-4-one.
What is the SMILES notation for 3-[2-(2,5-diethylphenyl)-2-oxoethyl]-7-fluoroquinazolin-4-one?
The canonical SMILES for 3-[2-(2,5-diethylphenyl)-2-oxoethyl]-7-fluoroquinazolin-4-one is CCc1ccc(CC)c(C(=O)Cn2cnc3cc(F)ccc3c2=O)c1.
What is the InChIKey of 3-[2-(2,5-diethylphenyl)-2-oxoethyl]-7-fluoroquinazolin-4-one?
The InChIKey is SOEKPZJXRKIWST-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O2/c1-3-13-5-6-14(4-2)17(9-13)19(24)11-23-12-22-18-10-15(21)7-8-16(18)20(23)25/h5-10,12H,3-4,11H2,1-2H3.
What are the key properties of 3-[2-(2,5-diethylphenyl)-2-oxoethyl]-7-fluoroquinazolin-4-one?
3-[2-(2,5-diethylphenyl)-2-oxoethyl]-7-fluoroquinazolin-4-one has a molecular weight of 338.38 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,5-diethylphenyl)-2-oxoethyl]-7-fluoroquinazolin-4-one is sourced from PubChem (CID 40743883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).