6-fluoro-3-[2-[4-(2-methylpropanoyl)piperazin-1-yl]-2-oxoethyl]quinazolin-4-one

C18H21FN4O3 — CID 46581608

IUPAC6-fluoro-3-[2-[4-(2-methylpropanoyl)piperazin-1-yl]-2-oxoethyl]quinazolin-4-one
SMILESCC(C)C(=O)N1CCN(C(=O)Cn2cnc3ccc(F)cc3c2=O)CC1
InChIInChI=1S/C18H21FN4O3/c1-12(2)17(25)22-7-5-21(6-8-22)16(24)10-23-11-20-15-4-3-13(19)9-14(15)18(23)26/h3-4,9,11-12H,5-8,10H2,1-2H3
InChIKeyYZGVLUQDGVAYIO-UHFFFAOYSA-N
MW360.39 g/mol
LogP0.86
Rot. Bonds3

About 6-fluoro-3-[2-[4-(2-methylpropanoyl)piperazin-1-yl]-2-oxoethyl]quinazolin-4-one

6-fluoro-3-[2-[4-(2-methylpropanoyl)piperazin-1-yl]-2-oxoethyl]quinazolin-4-one (PubChem CID 46581608) has the molecular formula C18H21FN4O3 and a molecular weight of 360.39 g/mol. Its IUPAC name is 6-fluoro-3-[2-[4-(2-methylpropanoyl)piperazin-1-yl]-2-oxoethyl]quinazolin-4-one.

Molecular Properties

Compound Name6-fluoro-3-[2-[4-(2-methylpropanoyl)piperazin-1-yl]-2-oxoethyl]quinazolin-4-one
PubChem CID46581608
Molecular FormulaC18H21FN4O3
Molecular Weight360.39 g/mol
Exact Mass360.16
IUPAC Name6-fluoro-3-[2-[4-(2-methylpropanoyl)piperazin-1-yl]-2-oxoethyl]quinazolin-4-one
SMILESCC(C)C(=O)N1CCN(C(=O)Cn2cnc3ccc(F)cc3c2=O)CC1
InChIInChI=1S/C18H21FN4O3/c1-12(2)17(25)22-7-5-21(6-8-22)16(24)10-23-11-20-15-4-3-13(19)9-14(15)18(23)26/h3-4,9,11-12H,5-8,10H2,1-2H3
InChIKeyYZGVLUQDGVAYIO-UHFFFAOYSA-N
XLogP0.86
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-fluoro-3-[2-[4-(2-methylpropanoyl)piperazin-1-yl]-2-oxoethyl]quinazolin-4-one with MolForge

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Related Compounds

2-[4-[2-(6-fluoro-4-oxoquinazolin-3-yl)acetyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 30837051
3-[2-[(2S)-2-ethylmorpholin-4-yl]-2-oxoethyl]-6-fluoroquinazolin-4-one
CID 30895758
3-[2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-6-fluoroquinazolin-4-one
CID 30837391
3-[2-[(3S,4R)-3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-oxoethyl]-6-fluoroquinazolin-4-one
CID 96512897
6-fluoro-3-[2-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 30840113
6-fluoro-3-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxoethyl]quinazolin-4-one
CID 30836403
8-methyl-3-[2-[4-(2-methylpropanoyl)piperazin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 51264656
6-fluoro-3-[2-[4-(4-methylsulfonyl-2-nitrophenyl)piperazin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 30837290
N-benzyl-1-[2-(6-fluoro-4-oxoquinazolin-3-yl)acetyl]piperidine-4-carboxamide
CID 46402429
2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 42952638
2-(6-fluoro-4-oxoquinazolin-3-yl)-N-(1-phenylethyl)acetamide
CID 46585768
7-fluoro-3-[2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 39005053

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-[2-[4-(2-methylpropanoyl)piperazin-1-yl]-2-oxoethyl]quinazolin-4-one?
The IUPAC name of 6-fluoro-3-[2-[4-(2-methylpropanoyl)piperazin-1-yl]-2-oxoethyl]quinazolin-4-one (CID 46581608) is 6-fluoro-3-[2-[4-(2-methylpropanoyl)piperazin-1-yl]-2-oxoethyl]quinazolin-4-one.
What is the SMILES notation for 6-fluoro-3-[2-[4-(2-methylpropanoyl)piperazin-1-yl]-2-oxoethyl]quinazolin-4-one?
The canonical SMILES for 6-fluoro-3-[2-[4-(2-methylpropanoyl)piperazin-1-yl]-2-oxoethyl]quinazolin-4-one is CC(C)C(=O)N1CCN(C(=O)Cn2cnc3ccc(F)cc3c2=O)CC1.
What is the InChIKey of 6-fluoro-3-[2-[4-(2-methylpropanoyl)piperazin-1-yl]-2-oxoethyl]quinazolin-4-one?
The InChIKey is YZGVLUQDGVAYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O3/c1-12(2)17(25)22-7-5-21(6-8-22)16(24)10-23-11-20-15-4-3-13(19)9-14(15)18(23)26/h3-4,9,11-12H,5-8,10H2,1-2H3.
What are the key properties of 6-fluoro-3-[2-[4-(2-methylpropanoyl)piperazin-1-yl]-2-oxoethyl]quinazolin-4-one?
6-fluoro-3-[2-[4-(2-methylpropanoyl)piperazin-1-yl]-2-oxoethyl]quinazolin-4-one has a molecular weight of 360.39 g/mol, XLogP of 0.86, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-[2-[4-(2-methylpropanoyl)piperazin-1-yl]-2-oxoethyl]quinazolin-4-one is sourced from PubChem (CID 46581608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).