2-(3,5-difluorophenyl)-N-(8-fluoro-4-oxo-2-pyrrolidin-1-ylquinazolin-3-yl)acetamide

C20H17F3N4O2 — CID 25119279

IUPAC2-(3,5-difluorophenyl)-N-(8-fluoro-4-oxo-2-pyrrolidin-1-ylquinazolin-3-yl)acetamide
SMILESO=C(Cc1cc(F)cc(F)c1)Nn1c(N2CCCC2)nc2c(F)cccc2c1=O
InChIInChI=1S/C20H17F3N4O2/c21-13-8-12(9-14(22)11-13)10-17(28)25-27-19(29)15-4-3-5-16(23)18(15)24-20(27)26-6-1-2-7-26/h3-5,8-9,11H,1-2,6-7,10H2,(H,25,28)
InChIKeyZGRCZVMLEUSESL-UHFFFAOYSA-N
MW402.38 g/mol
LogP2.73
Rot. Bonds4

About 2-(3,5-difluorophenyl)-N-(8-fluoro-4-oxo-2-pyrrolidin-1-ylquinazolin-3-yl)acetamide

2-(3,5-difluorophenyl)-N-(8-fluoro-4-oxo-2-pyrrolidin-1-ylquinazolin-3-yl)acetamide (PubChem CID 25119279) has the molecular formula C20H17F3N4O2 and a molecular weight of 402.38 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-N-(8-fluoro-4-oxo-2-pyrrolidin-1-ylquinazolin-3-yl)acetamide.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-N-(8-fluoro-4-oxo-2-pyrrolidin-1-ylquinazolin-3-yl)acetamide
PubChem CID25119279
Molecular FormulaC20H17F3N4O2
Molecular Weight402.38 g/mol
Exact Mass402.13
IUPAC Name2-(3,5-difluorophenyl)-N-(8-fluoro-4-oxo-2-pyrrolidin-1-ylquinazolin-3-yl)acetamide
SMILESO=C(Cc1cc(F)cc(F)c1)Nn1c(N2CCCC2)nc2c(F)cccc2c1=O
InChIInChI=1S/C20H17F3N4O2/c21-13-8-12(9-14(22)11-13)10-17(28)25-27-19(29)15-4-3-5-16(23)18(15)24-20(27)26-6-1-2-7-26/h3-5,8-9,11H,1-2,6-7,10H2,(H,25,28)
InChIKeyZGRCZVMLEUSESL-UHFFFAOYSA-N
XLogP2.73
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.38
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,6-difluoro-N-(4-oxoquinazolin-3(4H)-yl)benzamide
CID 4374041
3-Benzyl-2-hydrazino-3H-quinazolin-4-one
CID 791494
2-(3-(4-phenyl-5,6-dihydropyridin-1(2H)-yl)pyrrolidin-1-yl)quinazolin-4(3H)-one
CID 135530844
2-fluoro-N-(4-oxoquinazolin-3(4H)-yl)benzamide
CID 4374043
2-fluoro-N'-[2-(4-oxoquinazolin-3-yl)acetyl]benzohydrazide
CID 4827693
4(3H)-Quinazolinone, 3-(2,4-difluorophenyl)-2-hydrazino-
CID 63130
3-Benzyl-[1,2,4]triazolo[5,1-b]quinazolin-9-one
CID 44428702
N-[(4-Fluorophenyl)methyl]-3-[4-oxo-2-(pyrrolidin-1-YL)-3,4-dihydroquinazolin-3-YL]propanamide
CID 53200664
(3Z)-3-[(4-fluorophenyl)methylidene]-1H-pyrazolo[5,1-b]quinazoline-2,9-dione
CID 171345005
(3Z)-3-[(2-fluorophenyl)methylidene]-1H-pyrazolo[5,1-b]quinazoline-2,9-dione
CID 171347896
(3Z)-3-[(3-fluorophenyl)methylidene]-1H-pyrazolo[5,1-b]quinazoline-2,9-dione
CID 171354271
6-fluoro-2-pyrrolidin-1-yl-3H-quinazolin-4-one
CID 139222850

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)-N-(8-fluoro-4-oxo-2-pyrrolidin-1-ylquinazolin-3-yl)acetamide?
The IUPAC name of 2-(3,5-difluorophenyl)-N-(8-fluoro-4-oxo-2-pyrrolidin-1-ylquinazolin-3-yl)acetamide (CID 25119279) is 2-(3,5-difluorophenyl)-N-(8-fluoro-4-oxo-2-pyrrolidin-1-ylquinazolin-3-yl)acetamide.
What is the SMILES notation for 2-(3,5-difluorophenyl)-N-(8-fluoro-4-oxo-2-pyrrolidin-1-ylquinazolin-3-yl)acetamide?
The canonical SMILES for 2-(3,5-difluorophenyl)-N-(8-fluoro-4-oxo-2-pyrrolidin-1-ylquinazolin-3-yl)acetamide is O=C(Cc1cc(F)cc(F)c1)Nn1c(N2CCCC2)nc2c(F)cccc2c1=O.
What is the InChIKey of 2-(3,5-difluorophenyl)-N-(8-fluoro-4-oxo-2-pyrrolidin-1-ylquinazolin-3-yl)acetamide?
The InChIKey is ZGRCZVMLEUSESL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N4O2/c21-13-8-12(9-14(22)11-13)10-17(28)25-27-19(29)15-4-3-5-16(23)18(15)24-20(27)26-6-1-2-7-26/h3-5,8-9,11H,1-2,6-7,10H2,(H,25,28).
What are the key properties of 2-(3,5-difluorophenyl)-N-(8-fluoro-4-oxo-2-pyrrolidin-1-ylquinazolin-3-yl)acetamide?
2-(3,5-difluorophenyl)-N-(8-fluoro-4-oxo-2-pyrrolidin-1-ylquinazolin-3-yl)acetamide has a molecular weight of 402.38 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)-N-(8-fluoro-4-oxo-2-pyrrolidin-1-ylquinazolin-3-yl)acetamide is sourced from PubChem (CID 25119279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).