3-[(4-fluorophenyl)methyl]-1-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]quinazoline-2,4-dione

C27H24F2N4O3 — CID 46861002

IUPAC3-[(4-fluorophenyl)methyl]-1-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]quinazoline-2,4-dione
SMILESO=C(Cn1c(=O)n(Cc2ccc(F)cc2)c(=O)c2ccccc21)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C27H24F2N4O3/c28-20-7-5-19(6-8-20)17-33-26(35)23-3-1-2-4-24(23)32(27(33)36)18-25(34)31-15-13-30(14-16-31)22-11-9-21(29)10-12-22/h1-12H,13-18H2
InChIKeyZFOUQHPQRONSKM-UHFFFAOYSA-N
MW490.51 g/mol
LogP2.84
Rot. Bonds5

About 3-[(4-fluorophenyl)methyl]-1-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]quinazoline-2,4-dione

3-[(4-fluorophenyl)methyl]-1-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]quinazoline-2,4-dione (PubChem CID 46861002) has the molecular formula C27H24F2N4O3 and a molecular weight of 490.51 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-1-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]quinazoline-2,4-dione.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-1-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]quinazoline-2,4-dione
PubChem CID46861002
Molecular FormulaC27H24F2N4O3
Molecular Weight490.51 g/mol
Exact Mass490.18
IUPAC Name3-[(4-fluorophenyl)methyl]-1-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]quinazoline-2,4-dione
SMILESO=C(Cn1c(=O)n(Cc2ccc(F)cc2)c(=O)c2ccccc21)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C27H24F2N4O3/c28-20-7-5-19(6-8-20)17-33-26(35)23-3-1-2-4-24(23)32(27(33)36)18-25(34)31-15-13-30(14-16-31)22-11-9-21(29)10-12-22/h1-12H,13-18H2
InChIKeyZFOUQHPQRONSKM-UHFFFAOYSA-N
XLogP2.84
TPSA67.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.51
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-benzyl-1-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 22423859
3-[(4-chlorophenyl)methyl]-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrido[3,2-d]pyrimidine-2,4-dione
CID 18569481
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
2-ethyl-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 45030837
N-cyclopentyl-2-[3-[(4-fluorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]acetamide
CID 6502325
1-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-ethylquinazoline-2,4-dione
CID 26736777
1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3-(pyridin-4-ylmethyl)pyrido[3,2-d]pyrimidine-2,4-dione
CID 16951990
3-ethyl-1-[2-oxo-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]quinazoline-2,4-dione
CID 42572847
3-(2-fluorophenyl)-4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1-sulfanylidene-[1,3]thiazolo[3,4-a]quinazolin-5-one
CID 46295976
2-[3-[(4-fluorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]-N-(3-phenylpropyl)acetamide
CID 46860998
1-ethyl-5-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-[1,2,4]triazolo[4,3-a]quinoxalin-4-one
CID 53061600

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]-1-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]quinazoline-2,4-dione?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-1-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]quinazoline-2,4-dione (CID 46861002) is 3-[(4-fluorophenyl)methyl]-1-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]quinazoline-2,4-dione.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-1-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]quinazoline-2,4-dione?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-1-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]quinazoline-2,4-dione is O=C(Cn1c(=O)n(Cc2ccc(F)cc2)c(=O)c2ccccc21)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-1-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]quinazoline-2,4-dione?
The InChIKey is ZFOUQHPQRONSKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24F2N4O3/c28-20-7-5-19(6-8-20)17-33-26(35)23-3-1-2-4-24(23)32(27(33)36)18-25(34)31-15-13-30(14-16-31)22-11-9-21(29)10-12-22/h1-12H,13-18H2.
What are the key properties of 3-[(4-fluorophenyl)methyl]-1-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]quinazoline-2,4-dione?
3-[(4-fluorophenyl)methyl]-1-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]quinazoline-2,4-dione has a molecular weight of 490.51 g/mol, XLogP of 2.84, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]-1-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]quinazoline-2,4-dione is sourced from PubChem (CID 46861002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).