[4-[6,8-dimethyl-2-(trifluoromethyl)quinazolin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone

C20H19F3N4O2 — CID 993362

IUPAC[4-[6,8-dimethyl-2-(trifluoromethyl)quinazolin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone
SMILESCc1cc(C)c2nc(C(F)(F)F)nc(N3CCN(C(=O)c4ccco4)CC3)c2c1
InChIInChI=1S/C20H19F3N4O2/c1-12-10-13(2)16-14(11-12)17(25-19(24-16)20(21,22)23)26-5-7-27(8-6-26)18(28)15-4-3-9-29-15/h3-4,9-11H,5-8H2,1-2H3
InChIKeyJHONAAPETLFWPL-UHFFFAOYSA-N
MW404.39 g/mol
LogP3.82
Rot. Bonds2

About [4-[6,8-dimethyl-2-(trifluoromethyl)quinazolin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone

[4-[6,8-dimethyl-2-(trifluoromethyl)quinazolin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone (PubChem CID 993362) has the molecular formula C20H19F3N4O2 and a molecular weight of 404.39 g/mol. Its IUPAC name is [4-[6,8-dimethyl-2-(trifluoromethyl)quinazolin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-[6,8-dimethyl-2-(trifluoromethyl)quinazolin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone
PubChem CID993362
Molecular FormulaC20H19F3N4O2
Molecular Weight404.39 g/mol
Exact Mass404.15
IUPAC Name[4-[6,8-dimethyl-2-(trifluoromethyl)quinazolin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone
SMILESCc1cc(C)c2nc(C(F)(F)F)nc(N3CCN(C(=O)c4ccco4)CC3)c2c1
InChIInChI=1S/C20H19F3N4O2/c1-12-10-13(2)16-14(11-12)17(25-19(24-16)20(21,22)23)26-5-7-27(8-6-26)18(28)15-4-3-9-29-15/h3-4,9-11H,5-8H2,1-2H3
InChIKeyJHONAAPETLFWPL-UHFFFAOYSA-N
XLogP3.82
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.39
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[6,8-dimethyl-2-(trifluoromethyl)quinazolin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-[6,8-dimethyl-2-(trifluoromethyl)quinazolin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone (CID 993362) is [4-[6,8-dimethyl-2-(trifluoromethyl)quinazolin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-[6,8-dimethyl-2-(trifluoromethyl)quinazolin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-[6,8-dimethyl-2-(trifluoromethyl)quinazolin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone is Cc1cc(C)c2nc(C(F)(F)F)nc(N3CCN(C(=O)c4ccco4)CC3)c2c1.
What is the InChIKey of [4-[6,8-dimethyl-2-(trifluoromethyl)quinazolin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone?
The InChIKey is JHONAAPETLFWPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N4O2/c1-12-10-13(2)16-14(11-12)17(25-19(24-16)20(21,22)23)26-5-7-27(8-6-26)18(28)15-4-3-9-29-15/h3-4,9-11H,5-8H2,1-2H3.
What are the key properties of [4-[6,8-dimethyl-2-(trifluoromethyl)quinazolin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone?
[4-[6,8-dimethyl-2-(trifluoromethyl)quinazolin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone has a molecular weight of 404.39 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6,8-dimethyl-2-(trifluoromethyl)quinazolin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 993362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).