N-(3,5-difluorophenyl)-2-(2-oxo-4-piperidin-1-ylquinazolin-1-yl)acetamide

C21H20F2N4O2 — CID 50834538

IUPACN-(3,5-difluorophenyl)-2-(2-oxo-4-piperidin-1-ylquinazolin-1-yl)acetamide
SMILESO=C(Cn1c(=O)nc(N2CCCCC2)c2ccccc21)Nc1cc(F)cc(F)c1
InChIInChI=1S/C21H20F2N4O2/c22-14-10-15(23)12-16(11-14)24-19(28)13-27-18-7-3-2-6-17(18)20(25-21(27)29)26-8-4-1-5-9-26/h2-3,6-7,10-12H,1,4-5,8-9,13H2,(H,24,28)
InChIKeyREVNKACZVIUAOU-UHFFFAOYSA-N
MW398.41 g/mol
LogP3.30
Rot. Bonds4

About N-(3,5-difluorophenyl)-2-(2-oxo-4-piperidin-1-ylquinazolin-1-yl)acetamide

N-(3,5-difluorophenyl)-2-(2-oxo-4-piperidin-1-ylquinazolin-1-yl)acetamide (PubChem CID 50834538) has the molecular formula C21H20F2N4O2 and a molecular weight of 398.41 g/mol. Its IUPAC name is N-(3,5-difluorophenyl)-2-(2-oxo-4-piperidin-1-ylquinazolin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3,5-difluorophenyl)-2-(2-oxo-4-piperidin-1-ylquinazolin-1-yl)acetamide
PubChem CID50834538
Molecular FormulaC21H20F2N4O2
Molecular Weight398.41 g/mol
Exact Mass398.16
IUPAC NameN-(3,5-difluorophenyl)-2-(2-oxo-4-piperidin-1-ylquinazolin-1-yl)acetamide
SMILESO=C(Cn1c(=O)nc(N2CCCCC2)c2ccccc21)Nc1cc(F)cc(F)c1
InChIInChI=1S/C21H20F2N4O2/c22-14-10-15(23)12-16(11-14)24-19(28)13-27-18-7-3-2-6-17(18)20(25-21(27)29)26-8-4-1-5-9-26/h2-3,6-7,10-12H,1,4-5,8-9,13H2,(H,24,28)
InChIKeyREVNKACZVIUAOU-UHFFFAOYSA-N
XLogP3.30
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.41
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluorophenyl)-2-(2-oxo-4-piperidin-1-ylquinazolin-1-yl)acetamide?
The IUPAC name of N-(3,5-difluorophenyl)-2-(2-oxo-4-piperidin-1-ylquinazolin-1-yl)acetamide (CID 50834538) is N-(3,5-difluorophenyl)-2-(2-oxo-4-piperidin-1-ylquinazolin-1-yl)acetamide.
What is the SMILES notation for N-(3,5-difluorophenyl)-2-(2-oxo-4-piperidin-1-ylquinazolin-1-yl)acetamide?
The canonical SMILES for N-(3,5-difluorophenyl)-2-(2-oxo-4-piperidin-1-ylquinazolin-1-yl)acetamide is O=C(Cn1c(=O)nc(N2CCCCC2)c2ccccc21)Nc1cc(F)cc(F)c1.
What is the InChIKey of N-(3,5-difluorophenyl)-2-(2-oxo-4-piperidin-1-ylquinazolin-1-yl)acetamide?
The InChIKey is REVNKACZVIUAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N4O2/c22-14-10-15(23)12-16(11-14)24-19(28)13-27-18-7-3-2-6-17(18)20(25-21(27)29)26-8-4-1-5-9-26/h2-3,6-7,10-12H,1,4-5,8-9,13H2,(H,24,28).
What are the key properties of N-(3,5-difluorophenyl)-2-(2-oxo-4-piperidin-1-ylquinazolin-1-yl)acetamide?
N-(3,5-difluorophenyl)-2-(2-oxo-4-piperidin-1-ylquinazolin-1-yl)acetamide has a molecular weight of 398.41 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluorophenyl)-2-(2-oxo-4-piperidin-1-ylquinazolin-1-yl)acetamide is sourced from PubChem (CID 50834538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).