7-fluoro-3-[[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]methyl]quinazolin-4-one

C20H19F2N3O3S — CID 146079251

IUPAC7-fluoro-3-[[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]methyl]quinazolin-4-one
SMILESO=c1c2ccc(F)cc2ncn1CC1CCN(S(=O)(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C20H19F2N3O3S/c21-15-2-1-3-17(10-15)29(27,28)25-8-6-14(7-9-25)12-24-13-23-19-11-16(22)4-5-18(19)20(24)26/h1-5,10-11,13-14H,6-9,12H2
InChIKeyQRRCXNBJQATCRY-UHFFFAOYSA-N
MW419.45 g/mol
LogP2.78
Rot. Bonds4

About 7-fluoro-3-[[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]methyl]quinazolin-4-one

7-fluoro-3-[[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]methyl]quinazolin-4-one (PubChem CID 146079251) has the molecular formula C20H19F2N3O3S and a molecular weight of 419.45 g/mol. Its IUPAC name is 7-fluoro-3-[[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]methyl]quinazolin-4-one.

Molecular Properties

Compound Name7-fluoro-3-[[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]methyl]quinazolin-4-one
PubChem CID146079251
Molecular FormulaC20H19F2N3O3S
Molecular Weight419.45 g/mol
Exact Mass419.11
IUPAC Name7-fluoro-3-[[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]methyl]quinazolin-4-one
SMILESO=c1c2ccc(F)cc2ncn1CC1CCN(S(=O)(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C20H19F2N3O3S/c21-15-2-1-3-17(10-15)29(27,28)25-8-6-14(7-9-25)12-24-13-23-19-11-16(22)4-5-18(19)20(24)26/h1-5,10-11,13-14H,6-9,12H2
InChIKeyQRRCXNBJQATCRY-UHFFFAOYSA-N
XLogP2.78
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.45
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[1-(3-methylphenyl)sulfonylpiperidin-4-yl]methyl]quinazolin-4-one
CID 138988736
7-fluoro-3-[[1-(oxan-4-ylmethyl)piperidin-4-yl]methyl]quinazolin-4-one
CID 146078003
7-fluoro-3-[[1-(2-pyridin-3-ylacetyl)piperidin-4-yl]methyl]quinazolin-4-one
CID 146079002
7-fluoro-3-[[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]methyl]quinazolin-4-one
CID 146078879
3-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-7-fluoroquinazolin-4-one
CID 53113858
2-[4-[(7-fluoro-4-oxoquinazolin-3-yl)methyl]piperidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 163345436
7-fluoro-3-[[1-(9-methylpurin-6-yl)piperidin-4-yl]methyl]quinazolin-4-one
CID 154581294
7-fluoro-3-[1-(4-propylphenyl)sulfonylpiperidin-4-yl]quinazolin-4-one
CID 53113862
1-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]benzimidazole
CID 23641500
7-fluoro-3-[[1-(3-methoxy-1-methylpyrazole-4-carbonyl)piperidin-4-yl]methyl]quinazolin-4-one
CID 146080719
7-fluoro-3-[[1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]quinazolin-4-one
CID 146079957
7-fluoro-3-[[3-[(7-fluoro-4-oxoquinazolin-3-yl)methyl]phenyl]methyl]quinazolin-4-one
CID 27076082

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-[[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]methyl]quinazolin-4-one?
The IUPAC name of 7-fluoro-3-[[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]methyl]quinazolin-4-one (CID 146079251) is 7-fluoro-3-[[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]methyl]quinazolin-4-one.
What is the SMILES notation for 7-fluoro-3-[[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]methyl]quinazolin-4-one?
The canonical SMILES for 7-fluoro-3-[[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]methyl]quinazolin-4-one is O=c1c2ccc(F)cc2ncn1CC1CCN(S(=O)(=O)c2cccc(F)c2)CC1.
What is the InChIKey of 7-fluoro-3-[[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]methyl]quinazolin-4-one?
The InChIKey is QRRCXNBJQATCRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N3O3S/c21-15-2-1-3-17(10-15)29(27,28)25-8-6-14(7-9-25)12-24-13-23-19-11-16(22)4-5-18(19)20(24)26/h1-5,10-11,13-14H,6-9,12H2.
What are the key properties of 7-fluoro-3-[[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]methyl]quinazolin-4-one?
7-fluoro-3-[[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]methyl]quinazolin-4-one has a molecular weight of 419.45 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-[[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]methyl]quinazolin-4-one is sourced from PubChem (CID 146079251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).