6-fluoro-3-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxoethyl]quinazolin-4-one

C24H21FN4O4S — CID 30836403

IUPAC6-fluoro-3-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxoethyl]quinazolin-4-one
SMILESO=C(Cn1cnc2ccc(F)cc2c1=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C24H21FN4O4S/c25-19-6-8-22-21(14-19)24(31)28(16-26-22)15-23(30)27-9-11-29(12-10-27)34(32,33)20-7-5-17-3-1-2-4-18(17)13-20/h1-8,13-14,16H,9-12,15H2
InChIKeyDAMTZZJRSBPDNU-UHFFFAOYSA-N
MW480.52 g/mol
LogP2.22
Rot. Bonds4

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

6-fluoro-3-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxoethyl]quinazolin-4-one (PubChem CID 30836403) has the molecular formula C24H21FN4O4S and a molecular weight of 480.52 g/mol. Its IUPAC name is 6-fluoro-3-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxoethyl]quinazolin-4-one.

Molecular Properties

Compound Name6-fluoro-3-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxoethyl]quinazolin-4-one
PubChem CID30836403
Molecular FormulaC24H21FN4O4S
Molecular Weight480.52 g/mol
Exact Mass480.13
IUPAC Name6-fluoro-3-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxoethyl]quinazolin-4-one
SMILESO=C(Cn1cnc2ccc(F)cc2c1=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C24H21FN4O4S/c25-19-6-8-22-21(14-19)24(31)28(16-26-22)15-23(30)27-9-11-29(12-10-27)34(32,33)20-7-5-17-3-1-2-4-18(17)13-20/h1-8,13-14,16H,9-12,15H2
InChIKeyDAMTZZJRSBPDNU-UHFFFAOYSA-N
XLogP2.22
TPSA92.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.52
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

6-fluoro-3-[2-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 30840113
3-[2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-6-fluoroquinazolin-4-one
CID 30837391
6-fluoro-3-[2-[4-(2-methylpropanoyl)piperazin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 46581608
6-fluoro-3-[2-[4-(4-methylsulfonyl-2-nitrophenyl)piperazin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 30837290
2-[4-[2-(6-fluoro-4-oxoquinazolin-3-yl)acetyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 30837051
2-[6-(4-methylpiperidin-1-yl)sulfonyl-4-oxoquinazolin-3-yl]-N-quinolin-3-ylacetamide
CID 6619032
7-fluoro-3-[2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 39005053
N-benzyl-1-[2-(6-fluoro-4-oxoquinazolin-3-yl)acetyl]piperidine-4-carboxamide
CID 46402429
2-(4-bromopyrazol-1-yl)-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanone
CID 52667917
3-[2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 24682062
3-[2-[(2S)-2-ethylmorpholin-4-yl]-2-oxoethyl]-6-fluoroquinazolin-4-one
CID 30895758
3,3-dimethyl-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)butan-1-one
CID 17478579

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxoethyl]quinazolin-4-one?
The IUPAC name of 6-fluoro-3-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxoethyl]quinazolin-4-one (CID 30836403) is 6-fluoro-3-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxoethyl]quinazolin-4-one.
What is the SMILES notation for 6-fluoro-3-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxoethyl]quinazolin-4-one?
The canonical SMILES for 6-fluoro-3-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxoethyl]quinazolin-4-one is O=C(Cn1cnc2ccc(F)cc2c1=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1.
What is the InChIKey of 6-fluoro-3-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxoethyl]quinazolin-4-one?
The InChIKey is DAMTZZJRSBPDNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O4S/c25-19-6-8-22-21(14-19)24(31)28(16-26-22)15-23(30)27-9-11-29(12-10-27)34(32,33)20-7-5-17-3-1-2-4-18(17)13-20/h1-8,13-14,16H,9-12,15H2.
What are the key properties of 6-fluoro-3-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxoethyl]quinazolin-4-one?
6-fluoro-3-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxoethyl]quinazolin-4-one has a molecular weight of 480.52 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxoethyl]quinazolin-4-one is sourced from PubChem (CID 30836403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).