N-(5,7-difluoro-4-oxo-2-pyrrolidin-1-ylquinazolin-3-yl)-2-(3,5-difluorophenyl)acetamide

C20H16F4N4O2 — CID 25117842

IUPACN-(5,7-difluoro-4-oxo-2-pyrrolidin-1-ylquinazolin-3-yl)-2-(3,5-difluorophenyl)acetamide
SMILESO=C(Cc1cc(F)cc(F)c1)Nn1c(N2CCCC2)nc2cc(F)cc(F)c2c1=O
InChIInChI=1S/C20H16F4N4O2/c21-12-5-11(6-13(22)8-12)7-17(29)26-28-19(30)18-15(24)9-14(23)10-16(18)25-20(28)27-3-1-2-4-27/h5-6,8-10H,1-4,7H2,(H,26,29)
InChIKeyFXOYAROSUNHMCN-UHFFFAOYSA-N
MW420.37 g/mol
LogP2.87
Rot. Bonds4

About N-(5,7-difluoro-4-oxo-2-pyrrolidin-1-ylquinazolin-3-yl)-2-(3,5-difluorophenyl)acetamide

N-(5,7-difluoro-4-oxo-2-pyrrolidin-1-ylquinazolin-3-yl)-2-(3,5-difluorophenyl)acetamide (PubChem CID 25117842) has the molecular formula C20H16F4N4O2 and a molecular weight of 420.37 g/mol. Its IUPAC name is N-(5,7-difluoro-4-oxo-2-pyrrolidin-1-ylquinazolin-3-yl)-2-(3,5-difluorophenyl)acetamide.

Molecular Properties

Compound NameN-(5,7-difluoro-4-oxo-2-pyrrolidin-1-ylquinazolin-3-yl)-2-(3,5-difluorophenyl)acetamide
PubChem CID25117842
Molecular FormulaC20H16F4N4O2
Molecular Weight420.37 g/mol
Exact Mass420.12
IUPAC NameN-(5,7-difluoro-4-oxo-2-pyrrolidin-1-ylquinazolin-3-yl)-2-(3,5-difluorophenyl)acetamide
SMILESO=C(Cc1cc(F)cc(F)c1)Nn1c(N2CCCC2)nc2cc(F)cc(F)c2c1=O
InChIInChI=1S/C20H16F4N4O2/c21-12-5-11(6-13(22)8-12)7-17(29)26-28-19(30)18-15(24)9-14(23)10-16(18)25-20(28)27-3-1-2-4-27/h5-6,8-10H,1-4,7H2,(H,26,29)
InChIKeyFXOYAROSUNHMCN-UHFFFAOYSA-N
XLogP2.87
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.37
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5,7-difluoro-4-oxo-2-pyrrolidin-1-ylquinazolin-3-yl)-2-(3,5-difluorophenyl)acetamide?
The IUPAC name of N-(5,7-difluoro-4-oxo-2-pyrrolidin-1-ylquinazolin-3-yl)-2-(3,5-difluorophenyl)acetamide (CID 25117842) is N-(5,7-difluoro-4-oxo-2-pyrrolidin-1-ylquinazolin-3-yl)-2-(3,5-difluorophenyl)acetamide.
What is the SMILES notation for N-(5,7-difluoro-4-oxo-2-pyrrolidin-1-ylquinazolin-3-yl)-2-(3,5-difluorophenyl)acetamide?
The canonical SMILES for N-(5,7-difluoro-4-oxo-2-pyrrolidin-1-ylquinazolin-3-yl)-2-(3,5-difluorophenyl)acetamide is O=C(Cc1cc(F)cc(F)c1)Nn1c(N2CCCC2)nc2cc(F)cc(F)c2c1=O.
What is the InChIKey of N-(5,7-difluoro-4-oxo-2-pyrrolidin-1-ylquinazolin-3-yl)-2-(3,5-difluorophenyl)acetamide?
The InChIKey is FXOYAROSUNHMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F4N4O2/c21-12-5-11(6-13(22)8-12)7-17(29)26-28-19(30)18-15(24)9-14(23)10-16(18)25-20(28)27-3-1-2-4-27/h5-6,8-10H,1-4,7H2,(H,26,29).
What are the key properties of N-(5,7-difluoro-4-oxo-2-pyrrolidin-1-ylquinazolin-3-yl)-2-(3,5-difluorophenyl)acetamide?
N-(5,7-difluoro-4-oxo-2-pyrrolidin-1-ylquinazolin-3-yl)-2-(3,5-difluorophenyl)acetamide has a molecular weight of 420.37 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,7-difluoro-4-oxo-2-pyrrolidin-1-ylquinazolin-3-yl)-2-(3,5-difluorophenyl)acetamide is sourced from PubChem (CID 25117842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).