3-[[4-[4-(2,2-difluoroethoxy)quinazolin-6-yl]piperazin-1-yl]methyl]-1-methylpyrazin-2-one

C20H22F2N6O2 — CID 126896494

IUPAC3-[[4-[4-(2,2-difluoroethoxy)quinazolin-6-yl]piperazin-1-yl]methyl]-1-methylpyrazin-2-one
SMILESCn1ccnc(CN2CCN(c3ccc4ncnc(OCC(F)F)c4c3)CC2)c1=O
InChIInChI=1S/C20H22F2N6O2/c1-26-5-4-23-17(20(26)29)11-27-6-8-28(9-7-27)14-2-3-16-15(10-14)19(25-13-24-16)30-12-18(21)22/h2-5,10,13,18H,6-9,11-12H2,1H3
InChIKeyOAKFFFSRNYZXLM-UHFFFAOYSA-N
MW416.43 g/mol
LogP1.69
Rot. Bonds6

About 3-[[4-[4-(2,2-difluoroethoxy)quinazolin-6-yl]piperazin-1-yl]methyl]-1-methylpyrazin-2-one

3-[[4-[4-(2,2-difluoroethoxy)quinazolin-6-yl]piperazin-1-yl]methyl]-1-methylpyrazin-2-one (PubChem CID 126896494) has the molecular formula C20H22F2N6O2 and a molecular weight of 416.43 g/mol. Its IUPAC name is 3-[[4-[4-(2,2-difluoroethoxy)quinazolin-6-yl]piperazin-1-yl]methyl]-1-methylpyrazin-2-one.

Molecular Properties

Compound Name3-[[4-[4-(2,2-difluoroethoxy)quinazolin-6-yl]piperazin-1-yl]methyl]-1-methylpyrazin-2-one
PubChem CID126896494
Molecular FormulaC20H22F2N6O2
Molecular Weight416.43 g/mol
Exact Mass416.18
IUPAC Name3-[[4-[4-(2,2-difluoroethoxy)quinazolin-6-yl]piperazin-1-yl]methyl]-1-methylpyrazin-2-one
SMILESCn1ccnc(CN2CCN(c3ccc4ncnc(OCC(F)F)c4c3)CC2)c1=O
InChIInChI=1S/C20H22F2N6O2/c1-26-5-4-23-17(20(26)29)11-27-6-8-28(9-7-27)14-2-3-16-15(10-14)19(25-13-24-16)30-12-18(21)22/h2-5,10,13,18H,6-9,11-12H2,1H3
InChIKeyOAKFFFSRNYZXLM-UHFFFAOYSA-N
XLogP1.69
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.43
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-[[4-[4-(2,2-difluoroethoxy)quinazolin-6-yl]piperazin-1-yl]methyl]-1-methylpyrazin-2-one with MolForge

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Related Compounds

3-[[4-[4-(2,2-difluoroethoxy)quinazolin-6-yl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole
CID 126896543
4-(2,2-difluoroethoxy)-6-[4-[(5-methylpyrazin-2-yl)methyl]piperazin-1-yl]quinazoline
CID 126896504
5-[[4-[4-(2,2-difluoroethoxy)quinazolin-6-yl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 126896518
2-[[4-[4-(2,2-difluoroethoxy)quinazolin-6-yl]piperazin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole
CID 126896472
5-[[4-[4-(2,2-difluoroethoxy)quinazolin-6-yl]piperazin-1-yl]methyl]-1-methylpiperidin-2-one
CID 126896557
3-[[4-[4-(2,2-difluoroethoxy)quinazolin-6-yl]piperazin-1-yl]methyl]-6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazole
CID 126896534
4-(2,2-difluoroethoxy)-6-[4-(5-methylpyrazin-2-yl)piperazin-1-yl]quinazoline
CID 126896570
2-[[4-[4-(2,2-difluoroethoxy)quinazolin-6-yl]piperazin-1-yl]methyl]-4,5,6,7-tetrahydro-1,3-benzoxazole
CID 126896530
3-[4-[4-(2,2-difluoroethoxy)quinazolin-6-yl]piperazin-1-yl]pyrrolidin-2-one
CID 126896553
3-(2-methoxyethyl)-7-[4-[(4-methyl-3-oxopyrazin-2-yl)methyl]piperazin-1-yl]quinazolin-4-one
CID 126899134
3-[[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]methyl]-7-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one
CID 126894959
[4-[4-(2,2-difluoroethoxy)quinazolin-6-yl]piperazin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone
CID 126896440

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[4-(2,2-difluoroethoxy)quinazolin-6-yl]piperazin-1-yl]methyl]-1-methylpyrazin-2-one?
The IUPAC name of 3-[[4-[4-(2,2-difluoroethoxy)quinazolin-6-yl]piperazin-1-yl]methyl]-1-methylpyrazin-2-one (CID 126896494) is 3-[[4-[4-(2,2-difluoroethoxy)quinazolin-6-yl]piperazin-1-yl]methyl]-1-methylpyrazin-2-one.
What is the SMILES notation for 3-[[4-[4-(2,2-difluoroethoxy)quinazolin-6-yl]piperazin-1-yl]methyl]-1-methylpyrazin-2-one?
The canonical SMILES for 3-[[4-[4-(2,2-difluoroethoxy)quinazolin-6-yl]piperazin-1-yl]methyl]-1-methylpyrazin-2-one is Cn1ccnc(CN2CCN(c3ccc4ncnc(OCC(F)F)c4c3)CC2)c1=O.
What is the InChIKey of 3-[[4-[4-(2,2-difluoroethoxy)quinazolin-6-yl]piperazin-1-yl]methyl]-1-methylpyrazin-2-one?
The InChIKey is OAKFFFSRNYZXLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N6O2/c1-26-5-4-23-17(20(26)29)11-27-6-8-28(9-7-27)14-2-3-16-15(10-14)19(25-13-24-16)30-12-18(21)22/h2-5,10,13,18H,6-9,11-12H2,1H3.
What are the key properties of 3-[[4-[4-(2,2-difluoroethoxy)quinazolin-6-yl]piperazin-1-yl]methyl]-1-methylpyrazin-2-one?
3-[[4-[4-(2,2-difluoroethoxy)quinazolin-6-yl]piperazin-1-yl]methyl]-1-methylpyrazin-2-one has a molecular weight of 416.43 g/mol, XLogP of 1.69, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[4-(2,2-difluoroethoxy)quinazolin-6-yl]piperazin-1-yl]methyl]-1-methylpyrazin-2-one is sourced from PubChem (CID 126896494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).