3-methyl-7-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]quinazolin-4-one

C18H17F3N6O — CID 126896965

IUPAC3-methyl-7-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]quinazolin-4-one
SMILESCn1cnc2cc(N3CCN(c4ccc(C(F)(F)F)nn4)CC3)ccc2c1=O
InChIInChI=1S/C18H17F3N6O/c1-25-11-22-14-10-12(2-3-13(14)17(25)28)26-6-8-27(9-7-26)16-5-4-15(23-24-16)18(19,20)21/h2-5,10-11H,6-9H2,1H3
InChIKeyYTOJJWSKNGBEBW-UHFFFAOYSA-N
MW390.37 g/mol
LogP2.07
Rot. Bonds2

About 3-methyl-7-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]quinazolin-4-one

3-methyl-7-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]quinazolin-4-one (PubChem CID 126896965) has the molecular formula C18H17F3N6O and a molecular weight of 390.37 g/mol. Its IUPAC name is 3-methyl-7-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]quinazolin-4-one.

Molecular Properties

Compound Name3-methyl-7-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]quinazolin-4-one
PubChem CID126896965
Molecular FormulaC18H17F3N6O
Molecular Weight390.37 g/mol
Exact Mass390.14
IUPAC Name3-methyl-7-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]quinazolin-4-one
SMILESCn1cnc2cc(N3CCN(c4ccc(C(F)(F)F)nn4)CC3)ccc2c1=O
InChIInChI=1S/C18H17F3N6O/c1-25-11-22-14-10-12(2-3-13(14)17(25)28)26-6-8-27(9-7-26)16-5-4-15(23-24-16)18(19,20)21/h2-5,10-11H,6-9H2,1H3
InChIKeyYTOJJWSKNGBEBW-UHFFFAOYSA-N
XLogP2.07
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.37
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-methyl-7-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]quinazolin-4-one with MolForge

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Related Compounds

3-methyl-7-(4-pyrimidin-4-ylpiperazin-1-yl)quinazolin-4-one
CID 126897138
3-methyl-7-[4-(6-methylpyrazin-2-yl)piperazin-1-yl]quinazolin-4-one
CID 126896954
7-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-3-methylquinazolin-4-one
CID 126896886
3-(2-hydroxyethyl)-7-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]quinazolin-4-one
CID 126898635
7-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-3-methylquinazolin-4-one
CID 126896880
3-methyl-7-[4-(1,3-oxazol-2-ylmethyl)piperazin-1-yl]quinazolin-4-one
CID 126896977
3-[4-(3-methyl-4-oxoquinazolin-7-yl)piperazin-1-yl]pyrazine-2-carbonitrile
CID 126896874
3-methyl-7-[4-(2-methylpyrido[2,3-d]pyrimidin-4-yl)piperazin-1-yl]quinazolin-4-one
CID 126897212
3-methyl-7-[4-[(2-methyltriazol-4-yl)methyl]piperazin-1-yl]quinazolin-4-one
CID 126896972
3-methyl-7-[4-(1-methyl-2-oxopiperidin-3-yl)piperazin-1-yl]quinazolin-4-one
CID 126897105
7-[4-(2-cyclopentylacetyl)piperazin-1-yl]-3-methylquinazolin-4-one
CID 126896770
3-methyl-7-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]quinazolin-4-one
CID 126897077

Frequently Asked Questions

What is the IUPAC name of 3-methyl-7-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]quinazolin-4-one?
The IUPAC name of 3-methyl-7-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]quinazolin-4-one (CID 126896965) is 3-methyl-7-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]quinazolin-4-one.
What is the SMILES notation for 3-methyl-7-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]quinazolin-4-one?
The canonical SMILES for 3-methyl-7-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]quinazolin-4-one is Cn1cnc2cc(N3CCN(c4ccc(C(F)(F)F)nn4)CC3)ccc2c1=O.
What is the InChIKey of 3-methyl-7-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]quinazolin-4-one?
The InChIKey is YTOJJWSKNGBEBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N6O/c1-25-11-22-14-10-12(2-3-13(14)17(25)28)26-6-8-27(9-7-26)16-5-4-15(23-24-16)18(19,20)21/h2-5,10-11H,6-9H2,1H3.
What are the key properties of 3-methyl-7-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]quinazolin-4-one?
3-methyl-7-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]quinazolin-4-one has a molecular weight of 390.37 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]quinazolin-4-one is sourced from PubChem (CID 126896965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).