3-(2-fluorophenyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione

C24H19FN2O3 — CID 163854867

IUPAC3-(2-fluorophenyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione
SMILESCCC(=O)c1ccc(Cn2c(=O)n(-c3ccccc3F)c(=O)c3ccccc32)cc1
InChIInChI=1S/C24H19FN2O3/c1-2-22(28)17-13-11-16(12-14-17)15-26-20-9-5-3-7-18(20)23(29)27(24(26)30)21-10-6-4-8-19(21)25/h3-14H,2,15H2,1H3
InChIKeyQGDPPSFJAZHUSD-UHFFFAOYSA-N
MW402.43 g/mol
LogP3.93
Rot. Bonds5

About 3-(2-fluorophenyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione

3-(2-fluorophenyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione (PubChem CID 163854867) has the molecular formula C24H19FN2O3 and a molecular weight of 402.43 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione.

Molecular Properties

Compound Name3-(2-fluorophenyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione
PubChem CID163854867
Molecular FormulaC24H19FN2O3
Molecular Weight402.43 g/mol
Exact Mass402.14
IUPAC Name3-(2-fluorophenyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione
SMILESCCC(=O)c1ccc(Cn2c(=O)n(-c3ccccc3F)c(=O)c3ccccc32)cc1
InChIInChI=1S/C24H19FN2O3/c1-2-22(28)17-13-11-16(12-14-17)15-26-20-9-5-3-7-18(20)23(29)27(24(26)30)21-10-6-4-8-19(21)25/h3-14H,2,15H2,1H3
InChIKeyQGDPPSFJAZHUSD-UHFFFAOYSA-N
XLogP3.93
TPSA61.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.43
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-chloro-3-[2-(4-hydroxyphenyl)ethyl]-1-[[4-[(E)-3-oxopent-1-enyl]phenyl]methyl]quinazoline-2,4-dione;3-(2-fluorophenyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione;3-(4-hydroxyphenyl)-1-[[4-[(E)-3-oxopent-1-enyl]phenyl]methyl]quinazoline-2,4-dione;3-(4-methoxyphenyl)-1-[[4-[(E)-3-oxopent-1-enyl]phenyl]methyl]quinazoline-2,4-dione;1-[[4-[(E)-3-oxopent-1-enyl]phenyl]methyl]-3-phenylquinazoline-2,4-dione
CID 163854866
3-[2-[4-(piperidin-1-ylmethyl)phenyl]ethyl]-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione
CID 163775470
methyl 2-[1-[(4-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]benzoate
CID 95917068
1-[(4-fluorophenyl)methyl]-3-hydroxyquinazoline-2,4-dione
CID 52936428
2-[4-[1-[(4-chlorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-methylacetamide
CID 50763349
1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-[2-(2-hydroxyphenyl)ethyl]quinazoline-2,4-dione
CID 163554761
5-[[4-(2-hydroxyacetyl)phenyl]methyl]phenanthridin-6-one
CID 58388742
1,3-bis[(4-chlorophenyl)methyl]quinazoline-2,4-dione
CID 1241199
N-[(2-chlorophenyl)methyl]-4-[[1-[(2-fluorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]methyl]benzamide
CID 22429981
2-[4-[1-[(3-fluorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-methylacetamide
CID 50763161
3-(3-chlorophenyl)-1-[(4-methylphenyl)methyl]quinazoline-2,4-dione
CID 17147921
4-[[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]methyl]-N-hydroxybenzamide
CID 138377601

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione?
The IUPAC name of 3-(2-fluorophenyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione (CID 163854867) is 3-(2-fluorophenyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione.
What is the SMILES notation for 3-(2-fluorophenyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione?
The canonical SMILES for 3-(2-fluorophenyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione is CCC(=O)c1ccc(Cn2c(=O)n(-c3ccccc3F)c(=O)c3ccccc32)cc1.
What is the InChIKey of 3-(2-fluorophenyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione?
The InChIKey is QGDPPSFJAZHUSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN2O3/c1-2-22(28)17-13-11-16(12-14-17)15-26-20-9-5-3-7-18(20)23(29)27(24(26)30)21-10-6-4-8-19(21)25/h3-14H,2,15H2,1H3.
What are the key properties of 3-(2-fluorophenyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione?
3-(2-fluorophenyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione has a molecular weight of 402.43 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione is sourced from PubChem (CID 163854867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).