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

C25H21FN2O4 — CID 157155261

IUPAC1-[(4-fluorophenyl)methyl]-3-[3-(2-methoxyphenyl)-2-oxopropyl]quinazoline-2,4-dione
SMILESCOc1ccccc1CC(=O)Cn1c(=O)c2ccccc2n(Cc2ccc(F)cc2)c1=O
InChIInChI=1S/C25H21FN2O4/c1-32-23-9-5-2-6-18(23)14-20(29)16-28-24(30)21-7-3-4-8-22(21)27(25(28)31)15-17-10-12-19(26)13-11-17/h2-13H,14-16H2,1H3
InChIKeyALSQJPJGQHNJKZ-UHFFFAOYSA-N
MW432.45 g/mol
LogP3.17
Rot. Bonds7

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

1-[(4-fluorophenyl)methyl]-3-[3-(2-methoxyphenyl)-2-oxopropyl]quinazoline-2,4-dione (PubChem CID 157155261) has the molecular formula C25H21FN2O4 and a molecular weight of 432.45 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-3-[3-(2-methoxyphenyl)-2-oxopropyl]quinazoline-2,4-dione.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-3-[3-(2-methoxyphenyl)-2-oxopropyl]quinazoline-2,4-dione
PubChem CID157155261
Molecular FormulaC25H21FN2O4
Molecular Weight432.45 g/mol
Exact Mass432.15
IUPAC Name1-[(4-fluorophenyl)methyl]-3-[3-(2-methoxyphenyl)-2-oxopropyl]quinazoline-2,4-dione
SMILESCOc1ccccc1CC(=O)Cn1c(=O)c2ccccc2n(Cc2ccc(F)cc2)c1=O
InChIInChI=1S/C25H21FN2O4/c1-32-23-9-5-2-6-18(23)14-20(29)16-28-24(30)21-7-3-4-8-22(21)27(25(28)31)15-17-10-12-19(26)13-11-17/h2-13H,14-16H2,1H3
InChIKeyALSQJPJGQHNJKZ-UHFFFAOYSA-N
XLogP3.17
TPSA70.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.45
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[1-[(4-chlorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]methyl]-N-[(2-methoxyphenyl)methyl]benzamide
CID 22429777
1-[(4-fluorophenyl)methyl]-3-hydroxyquinazoline-2,4-dione
CID 52936428
2-[3-[(4-fluorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]-N-propan-2-ylacetamide
CID 6502338
N-tert-butyl-2-[3-[(4-fluorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]acetamide
CID 46861008
4-[[1-[(2-cyanophenyl)methyl]-2,4-dioxoquinazolin-3-yl]methyl]-N-[(2-methoxyphenyl)methyl]benzamide
CID 46247673
N-[(2-chlorophenyl)methyl]-4-[[1-[(4-fluorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]methyl]benzamide
CID 22429984
methyl 2-(3-benzyl-2,4-dioxoquinazolin-1-yl)acetate
CID 154831058
2-(1-ethyl-2,4-dioxoquinazolin-3-yl)-N-(2-methoxyphenyl)acetamide
CID 3432119
N-(3-chloro-2-methylphenyl)-2-[3-[(4-fluorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]acetamide
CID 46860994
2-[3-[(4-chlorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 46925484
N-cyclopentyl-2-[3-[(4-fluorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]acetamide
CID 6502325
3-[(4-fluorophenyl)methyl]-1-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]quinazoline-2,4-dione
CID 46861002

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-3-[3-(2-methoxyphenyl)-2-oxopropyl]quinazoline-2,4-dione?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-3-[3-(2-methoxyphenyl)-2-oxopropyl]quinazoline-2,4-dione (CID 157155261) is 1-[(4-fluorophenyl)methyl]-3-[3-(2-methoxyphenyl)-2-oxopropyl]quinazoline-2,4-dione.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-3-[3-(2-methoxyphenyl)-2-oxopropyl]quinazoline-2,4-dione?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-3-[3-(2-methoxyphenyl)-2-oxopropyl]quinazoline-2,4-dione is COc1ccccc1CC(=O)Cn1c(=O)c2ccccc2n(Cc2ccc(F)cc2)c1=O.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-3-[3-(2-methoxyphenyl)-2-oxopropyl]quinazoline-2,4-dione?
The InChIKey is ALSQJPJGQHNJKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN2O4/c1-32-23-9-5-2-6-18(23)14-20(29)16-28-24(30)21-7-3-4-8-22(21)27(25(28)31)15-17-10-12-19(26)13-11-17/h2-13H,14-16H2,1H3.
What are the key properties of 1-[(4-fluorophenyl)methyl]-3-[3-(2-methoxyphenyl)-2-oxopropyl]quinazoline-2,4-dione?
1-[(4-fluorophenyl)methyl]-3-[3-(2-methoxyphenyl)-2-oxopropyl]quinazoline-2,4-dione has a molecular weight of 432.45 g/mol, XLogP of 3.17, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-3-[3-(2-methoxyphenyl)-2-oxopropyl]quinazoline-2,4-dione is sourced from PubChem (CID 157155261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).