4-[4-[2-(difluoromethyl)quinazolin-4-yl]piperazin-1-yl]benzamide

C20H19F2N5O — CID 133307590

IUPAC4-[4-[2-(difluoromethyl)quinazolin-4-yl]piperazin-1-yl]benzamide
SMILESNC(=O)c1ccc(N2CCN(c3nc(C(F)F)nc4ccccc34)CC2)cc1
InChIInChI=1S/C20H19F2N5O/c21-17(22)19-24-16-4-2-1-3-15(16)20(25-19)27-11-9-26(10-12-27)14-7-5-13(6-8-14)18(23)28/h1-8,17H,9-12H2,(H2,23,28)
InChIKeyYCVJXEDICPPGBF-UHFFFAOYSA-N
MW383.40 g/mol
LogP2.99
Rot. Bonds4

About 4-[4-[2-(difluoromethyl)quinazolin-4-yl]piperazin-1-yl]benzamide

4-[4-[2-(difluoromethyl)quinazolin-4-yl]piperazin-1-yl]benzamide (PubChem CID 133307590) has the molecular formula C20H19F2N5O and a molecular weight of 383.40 g/mol. Its IUPAC name is 4-[4-[2-(difluoromethyl)quinazolin-4-yl]piperazin-1-yl]benzamide.

Molecular Properties

Compound Name4-[4-[2-(difluoromethyl)quinazolin-4-yl]piperazin-1-yl]benzamide
PubChem CID133307590
Molecular FormulaC20H19F2N5O
Molecular Weight383.40 g/mol
Exact Mass383.16
IUPAC Name4-[4-[2-(difluoromethyl)quinazolin-4-yl]piperazin-1-yl]benzamide
SMILESNC(=O)c1ccc(N2CCN(c3nc(C(F)F)nc4ccccc34)CC2)cc1
InChIInChI=1S/C20H19F2N5O/c21-17(22)19-24-16-4-2-1-3-15(16)20(25-19)27-11-9-26(10-12-27)14-7-5-13(6-8-14)18(23)28/h1-8,17H,9-12H2,(H2,23,28)
InChIKeyYCVJXEDICPPGBF-UHFFFAOYSA-N
XLogP2.99
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(difluoromethyl)quinazolin-4-yl]piperazin-1-yl]benzamide?
The IUPAC name of 4-[4-[2-(difluoromethyl)quinazolin-4-yl]piperazin-1-yl]benzamide (CID 133307590) is 4-[4-[2-(difluoromethyl)quinazolin-4-yl]piperazin-1-yl]benzamide.
What is the SMILES notation for 4-[4-[2-(difluoromethyl)quinazolin-4-yl]piperazin-1-yl]benzamide?
The canonical SMILES for 4-[4-[2-(difluoromethyl)quinazolin-4-yl]piperazin-1-yl]benzamide is NC(=O)c1ccc(N2CCN(c3nc(C(F)F)nc4ccccc34)CC2)cc1.
What is the InChIKey of 4-[4-[2-(difluoromethyl)quinazolin-4-yl]piperazin-1-yl]benzamide?
The InChIKey is YCVJXEDICPPGBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N5O/c21-17(22)19-24-16-4-2-1-3-15(16)20(25-19)27-11-9-26(10-12-27)14-7-5-13(6-8-14)18(23)28/h1-8,17H,9-12H2,(H2,23,28).
What are the key properties of 4-[4-[2-(difluoromethyl)quinazolin-4-yl]piperazin-1-yl]benzamide?
4-[4-[2-(difluoromethyl)quinazolin-4-yl]piperazin-1-yl]benzamide has a molecular weight of 383.40 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(difluoromethyl)quinazolin-4-yl]piperazin-1-yl]benzamide is sourced from PubChem (CID 133307590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).