1-[[3-[(3R)-3,4-diethylpiperazine-1-carbonyl]-4-fluorophenyl]methyl]quinazoline-2,4-dione

C24H27FN4O3 — CID 130292366

IUPAC1-[[3-[(3R)-3,4-diethylpiperazine-1-carbonyl]-4-fluorophenyl]methyl]quinazoline-2,4-dione
SMILESCC[C@@H]1CN(C(=O)c2cc(Cn3c(=O)[nH]c(=O)c4ccccc43)ccc2F)CCN1CC
InChIInChI=1S/C24H27FN4O3/c1-3-17-15-28(12-11-27(17)4-2)23(31)19-13-16(9-10-20(19)25)14-29-21-8-6-5-7-18(21)22(30)26-24(29)32/h5-10,13,17H,3-4,11-12,14-15H2,1-2H3,(H,26,30,32)/t17-/m1/s1
InChIKeyNLWYFXIKIPVWHJ-QGZVFWFLSA-N
MW438.50 g/mol
LogP2.43
Rot. Bonds5

About 1-[[3-[(3R)-3,4-diethylpiperazine-1-carbonyl]-4-fluorophenyl]methyl]quinazoline-2,4-dione

1-[[3-[(3R)-3,4-diethylpiperazine-1-carbonyl]-4-fluorophenyl]methyl]quinazoline-2,4-dione (PubChem CID 130292366) has the molecular formula C24H27FN4O3 and a molecular weight of 438.50 g/mol. Its IUPAC name is 1-[[3-[(3R)-3,4-diethylpiperazine-1-carbonyl]-4-fluorophenyl]methyl]quinazoline-2,4-dione.

Molecular Properties

Compound Name1-[[3-[(3R)-3,4-diethylpiperazine-1-carbonyl]-4-fluorophenyl]methyl]quinazoline-2,4-dione
PubChem CID130292366
Molecular FormulaC24H27FN4O3
Molecular Weight438.50 g/mol
Exact Mass438.21
IUPAC Name1-[[3-[(3R)-3,4-diethylpiperazine-1-carbonyl]-4-fluorophenyl]methyl]quinazoline-2,4-dione
SMILESCC[C@@H]1CN(C(=O)c2cc(Cn3c(=O)[nH]c(=O)c4ccccc43)ccc2F)CCN1CC
InChIInChI=1S/C24H27FN4O3/c1-3-17-15-28(12-11-27(17)4-2)23(31)19-13-16(9-10-20(19)25)14-29-21-8-6-5-7-18(21)22(30)26-24(29)32/h5-10,13,17H,3-4,11-12,14-15H2,1-2H3,(H,26,30,32)/t17-/m1/s1
InChIKeyNLWYFXIKIPVWHJ-QGZVFWFLSA-N
XLogP2.43
TPSA78.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.50
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[[3-[(3R)-3,4-diethylpiperazine-1-carbonyl]-4-fluorophenyl]methyl]quinazoline-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[(3R)-3,4-diethylpiperazine-1-carbonyl]-4-fluorophenyl]methyl]quinazoline-2,4-dione?
The IUPAC name of 1-[[3-[(3R)-3,4-diethylpiperazine-1-carbonyl]-4-fluorophenyl]methyl]quinazoline-2,4-dione (CID 130292366) is 1-[[3-[(3R)-3,4-diethylpiperazine-1-carbonyl]-4-fluorophenyl]methyl]quinazoline-2,4-dione.
What is the SMILES notation for 1-[[3-[(3R)-3,4-diethylpiperazine-1-carbonyl]-4-fluorophenyl]methyl]quinazoline-2,4-dione?
The canonical SMILES for 1-[[3-[(3R)-3,4-diethylpiperazine-1-carbonyl]-4-fluorophenyl]methyl]quinazoline-2,4-dione is CC[C@@H]1CN(C(=O)c2cc(Cn3c(=O)[nH]c(=O)c4ccccc43)ccc2F)CCN1CC.
What is the InChIKey of 1-[[3-[(3R)-3,4-diethylpiperazine-1-carbonyl]-4-fluorophenyl]methyl]quinazoline-2,4-dione?
The InChIKey is NLWYFXIKIPVWHJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H27FN4O3/c1-3-17-15-28(12-11-27(17)4-2)23(31)19-13-16(9-10-20(19)25)14-29-21-8-6-5-7-18(21)22(30)26-24(29)32/h5-10,13,17H,3-4,11-12,14-15H2,1-2H3,(H,26,30,32)/t17-/m1/s1.
What are the key properties of 1-[[3-[(3R)-3,4-diethylpiperazine-1-carbonyl]-4-fluorophenyl]methyl]quinazoline-2,4-dione?
1-[[3-[(3R)-3,4-diethylpiperazine-1-carbonyl]-4-fluorophenyl]methyl]quinazoline-2,4-dione has a molecular weight of 438.50 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[(3R)-3,4-diethylpiperazine-1-carbonyl]-4-fluorophenyl]methyl]quinazoline-2,4-dione is sourced from PubChem (CID 130292366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).