1-(2-amino-5-fluoroquinazolin-4-yl)-4-ethenylpyrrolidin-2-one

C14H13FN4O — CID 168686264

IUPAC1-(2-amino-5-fluoroquinazolin-4-yl)-4-ethenylpyrrolidin-2-one
SMILESC=CC1CC(=O)N(c2nc(N)nc3cccc(F)c23)C1
InChIInChI=1S/C14H13FN4O/c1-2-8-6-11(20)19(7-8)13-12-9(15)4-3-5-10(12)17-14(16)18-13/h2-5,8H,1,6-7H2,(H2,16,17,18)
InChIKeyHQXXXKAZORJDJA-UHFFFAOYSA-N
MW272.28 g/mol
LogP1.89
Rot. Bonds2

About 1-(2-amino-5-fluoroquinazolin-4-yl)-4-ethenylpyrrolidin-2-one

1-(2-amino-5-fluoroquinazolin-4-yl)-4-ethenylpyrrolidin-2-one (PubChem CID 168686264) has the molecular formula C14H13FN4O and a molecular weight of 272.28 g/mol. Its IUPAC name is 1-(2-amino-5-fluoroquinazolin-4-yl)-4-ethenylpyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-amino-5-fluoroquinazolin-4-yl)-4-ethenylpyrrolidin-2-one
PubChem CID168686264
Molecular FormulaC14H13FN4O
Molecular Weight272.28 g/mol
Exact Mass272.11
IUPAC Name1-(2-amino-5-fluoroquinazolin-4-yl)-4-ethenylpyrrolidin-2-one
SMILESC=CC1CC(=O)N(c2nc(N)nc3cccc(F)c23)C1
InChIInChI=1S/C14H13FN4O/c1-2-8-6-11(20)19(7-8)13-12-9(15)4-3-5-10(12)17-14(16)18-13/h2-5,8H,1,6-7H2,(H2,16,17,18)
InChIKeyHQXXXKAZORJDJA-UHFFFAOYSA-N
XLogP1.89
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(2-amino-5-fluoroquinazolin-4-yl)-4-(chloromethyl)pyrrolidin-2-one
CID 168509266
4-ethenyl-1-[3-fluoro-2-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 168686481
4-ethenyl-1-(2,3,4-trifluorophenyl)pyrrolidin-2-one
CID 168685621
1-(1H-benzimidazol-2-yl)-4-ethenylpyrrolidin-2-one
CID 168686650
1-(3-bromo-2-pyridinyl)-4-ethenylpyrrolidin-2-one
CID 168686184
1-(5,6-diaminopyrimidin-4-yl)-4-ethenylpyrrolidin-2-one
CID 168686241
1-(2,3-dimethylquinoxalin-6-yl)-4-ethenylpyrrolidin-2-one
CID 168684643
4-ethenyl-1-pyrimidin-2-ylpyrrolidin-2-one
CID 168686694
4-ethenyl-1-[4-(4-fluorophenyl)phenyl]pyrrolidin-2-one
CID 168685874
5-amino-4-(4-ethenyl-2-oxopyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 168686244
1-(2-amino-6-chlorophenyl)-4-ethenylpyrrolidin-2-one
CID 168686471
1-(5-chloro-1,3-benzothiazol-2-yl)-4-ethenylpyrrolidin-2-one
CID 168686640

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-fluoroquinazolin-4-yl)-4-ethenylpyrrolidin-2-one?
The IUPAC name of 1-(2-amino-5-fluoroquinazolin-4-yl)-4-ethenylpyrrolidin-2-one (CID 168686264) is 1-(2-amino-5-fluoroquinazolin-4-yl)-4-ethenylpyrrolidin-2-one.
What is the SMILES notation for 1-(2-amino-5-fluoroquinazolin-4-yl)-4-ethenylpyrrolidin-2-one?
The canonical SMILES for 1-(2-amino-5-fluoroquinazolin-4-yl)-4-ethenylpyrrolidin-2-one is C=CC1CC(=O)N(c2nc(N)nc3cccc(F)c23)C1.
What is the InChIKey of 1-(2-amino-5-fluoroquinazolin-4-yl)-4-ethenylpyrrolidin-2-one?
The InChIKey is HQXXXKAZORJDJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN4O/c1-2-8-6-11(20)19(7-8)13-12-9(15)4-3-5-10(12)17-14(16)18-13/h2-5,8H,1,6-7H2,(H2,16,17,18).
What are the key properties of 1-(2-amino-5-fluoroquinazolin-4-yl)-4-ethenylpyrrolidin-2-one?
1-(2-amino-5-fluoroquinazolin-4-yl)-4-ethenylpyrrolidin-2-one has a molecular weight of 272.28 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-fluoroquinazolin-4-yl)-4-ethenylpyrrolidin-2-one is sourced from PubChem (CID 168686264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).