2-(2-oxo-4-piperidin-1-ylquinazolin-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide

C22H21F3N4O2 — CID 50834505

IUPAC2-(2-oxo-4-piperidin-1-ylquinazolin-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cn1c(=O)nc(N2CCCCC2)c2ccccc21)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C22H21F3N4O2/c23-22(24,25)15-8-10-16(11-9-15)26-19(30)14-29-18-7-3-2-6-17(18)20(27-21(29)31)28-12-4-1-5-13-28/h2-3,6-11H,1,4-5,12-14H2,(H,26,30)
InChIKeyYSTJYDXFGBREPS-UHFFFAOYSA-N
MW430.43 g/mol
LogP4.04
Rot. Bonds4

About 2-(2-oxo-4-piperidin-1-ylquinazolin-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide

2-(2-oxo-4-piperidin-1-ylquinazolin-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 50834505) has the molecular formula C22H21F3N4O2 and a molecular weight of 430.43 g/mol. Its IUPAC name is 2-(2-oxo-4-piperidin-1-ylquinazolin-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-oxo-4-piperidin-1-ylquinazolin-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID50834505
Molecular FormulaC22H21F3N4O2
Molecular Weight430.43 g/mol
Exact Mass430.16
IUPAC Name2-(2-oxo-4-piperidin-1-ylquinazolin-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cn1c(=O)nc(N2CCCCC2)c2ccccc21)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C22H21F3N4O2/c23-22(24,25)15-8-10-16(11-9-15)26-19(30)14-29-18-7-3-2-6-17(18)20(27-21(29)31)28-12-4-1-5-13-28/h2-3,6-11H,1,4-5,12-14H2,(H,26,30)
InChIKeyYSTJYDXFGBREPS-UHFFFAOYSA-N
XLogP4.04
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.43
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-4-piperidin-1-ylquinazolin-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(2-oxo-4-piperidin-1-ylquinazolin-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide (CID 50834505) is 2-(2-oxo-4-piperidin-1-ylquinazolin-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(2-oxo-4-piperidin-1-ylquinazolin-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(2-oxo-4-piperidin-1-ylquinazolin-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide is O=C(Cn1c(=O)nc(N2CCCCC2)c2ccccc21)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-(2-oxo-4-piperidin-1-ylquinazolin-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is YSTJYDXFGBREPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N4O2/c23-22(24,25)15-8-10-16(11-9-15)26-19(30)14-29-18-7-3-2-6-17(18)20(27-21(29)31)28-12-4-1-5-13-28/h2-3,6-11H,1,4-5,12-14H2,(H,26,30).
What are the key properties of 2-(2-oxo-4-piperidin-1-ylquinazolin-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide?
2-(2-oxo-4-piperidin-1-ylquinazolin-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 430.43 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-4-piperidin-1-ylquinazolin-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 50834505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).