4-chloro-1-(2-chloroquinazolin-4-yl)pyrrolidin-2-one

C12H9Cl2N3O — CID 168689948

IUPAC4-chloro-1-(2-chloroquinazolin-4-yl)pyrrolidin-2-one
SMILESO=C1CC(Cl)CN1c1nc(Cl)nc2ccccc12
InChIInChI=1S/C12H9Cl2N3O/c13-7-5-10(18)17(6-7)11-8-3-1-2-4-9(8)15-12(14)16-11/h1-4,7H,5-6H2
InChIKeyGYGFZLRPDJCZEG-UHFFFAOYSA-N
MW282.13 g/mol
LogP2.63
Rot. Bonds1

About 4-chloro-1-(2-chloroquinazolin-4-yl)pyrrolidin-2-one

4-chloro-1-(2-chloroquinazolin-4-yl)pyrrolidin-2-one (PubChem CID 168689948) has the molecular formula C12H9Cl2N3O and a molecular weight of 282.13 g/mol. Its IUPAC name is 4-chloro-1-(2-chloroquinazolin-4-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-chloro-1-(2-chloroquinazolin-4-yl)pyrrolidin-2-one
PubChem CID168689948
Molecular FormulaC12H9Cl2N3O
Molecular Weight282.13 g/mol
Exact Mass281.01
IUPAC Name4-chloro-1-(2-chloroquinazolin-4-yl)pyrrolidin-2-one
SMILESO=C1CC(Cl)CN1c1nc(Cl)nc2ccccc12
InChIInChI=1S/C12H9Cl2N3O/c13-7-5-10(18)17(6-7)11-8-3-1-2-4-9(8)15-12(14)16-11/h1-4,7H,5-6H2
InChIKeyGYGFZLRPDJCZEG-UHFFFAOYSA-N
XLogP2.63
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.13
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-chloroquinazolin-4-yl)-4-hydroxypyrrolidin-2-one
CID 168704052
2-chloro-4-(3,4-dimethoxypyrrolidin-1-yl)quinazoline
CID 103536646
4-chloro-1-quinolin-5-ylpyrrolidin-2-one
CID 168689584
1-(6-bromo-2-chloroquinazolin-4-yl)-4-ethynylpyrrolidin-2-one
CID 168502607
S-[1-(6-bromo-2-chloroquinazolin-4-yl)-5-oxopyrrolidin-3-yl] ethanethioate
CID 168707005
1-(6-bromo-2-chloroquinazolin-4-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715841
S-[1-(2-aminoquinazolin-4-yl)-5-oxopyrrolidin-3-yl] ethanethioate
CID 168707385
4-chloro-1-(3,5-dichloropyrazin-2-yl)pyrrolidin-2-one
CID 168688926
4-chloro-1-pyridin-2-ylpyrrolidin-2-one
CID 168690022
4-chloro-1-(2-chloro-6-methylpyrimidin-4-yl)pyrrolidin-2-one
CID 168688384
4-chloro-1-isoquinolin-8-ylpyrrolidin-2-one
CID 168689587
4-chloro-1-(4-nitronaphthalen-1-yl)pyrrolidin-2-one
CID 168689019

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(2-chloroquinazolin-4-yl)pyrrolidin-2-one?
The IUPAC name of 4-chloro-1-(2-chloroquinazolin-4-yl)pyrrolidin-2-one (CID 168689948) is 4-chloro-1-(2-chloroquinazolin-4-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-chloro-1-(2-chloroquinazolin-4-yl)pyrrolidin-2-one?
The canonical SMILES for 4-chloro-1-(2-chloroquinazolin-4-yl)pyrrolidin-2-one is O=C1CC(Cl)CN1c1nc(Cl)nc2ccccc12.
What is the InChIKey of 4-chloro-1-(2-chloroquinazolin-4-yl)pyrrolidin-2-one?
The InChIKey is GYGFZLRPDJCZEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2N3O/c13-7-5-10(18)17(6-7)11-8-3-1-2-4-9(8)15-12(14)16-11/h1-4,7H,5-6H2.
What are the key properties of 4-chloro-1-(2-chloroquinazolin-4-yl)pyrrolidin-2-one?
4-chloro-1-(2-chloroquinazolin-4-yl)pyrrolidin-2-one has a molecular weight of 282.13 g/mol, XLogP of 2.63, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(2-chloroquinazolin-4-yl)pyrrolidin-2-one is sourced from PubChem (CID 168689948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).