4-(chloromethyl)-1-(5-chloroquinazolin-2-yl)pyrrolidin-2-one

C13H11Cl2N3O — CID 168509673

IUPAC4-(chloromethyl)-1-(5-chloroquinazolin-2-yl)pyrrolidin-2-one
SMILESO=C1CC(CCl)CN1c1ncc2c(Cl)cccc2n1
InChIInChI=1S/C13H11Cl2N3O/c14-5-8-4-12(19)18(7-8)13-16-6-9-10(15)2-1-3-11(9)17-13/h1-3,6,8H,4-5,7H2
InChIKeyFYJFHJWEUOZYBS-UHFFFAOYSA-N
MW296.16 g/mol
LogP2.87
Rot. Bonds2

About 4-(chloromethyl)-1-(5-chloroquinazolin-2-yl)pyrrolidin-2-one

4-(chloromethyl)-1-(5-chloroquinazolin-2-yl)pyrrolidin-2-one (PubChem CID 168509673) has the molecular formula C13H11Cl2N3O and a molecular weight of 296.16 g/mol. Its IUPAC name is 4-(chloromethyl)-1-(5-chloroquinazolin-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(chloromethyl)-1-(5-chloroquinazolin-2-yl)pyrrolidin-2-one
PubChem CID168509673
Molecular FormulaC13H11Cl2N3O
Molecular Weight296.16 g/mol
Exact Mass295.03
IUPAC Name4-(chloromethyl)-1-(5-chloroquinazolin-2-yl)pyrrolidin-2-one
SMILESO=C1CC(CCl)CN1c1ncc2c(Cl)cccc2n1
InChIInChI=1S/C13H11Cl2N3O/c14-5-8-4-12(19)18(7-8)13-16-6-9-10(15)2-1-3-11(9)17-13/h1-3,6,8H,4-5,7H2
InChIKeyFYJFHJWEUOZYBS-UHFFFAOYSA-N
XLogP2.87
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.16
LogP ≤ 52.87
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-(5-bromoquinazolin-2-yl)-4-(chloromethyl)pyrrolidin-2-one
CID 168509672
[1-(5-chloroquinazolin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677864
4-amino-1-(5-bromoquinazolin-2-yl)pyrrolidin-2-one
CID 168701329
4-(chloromethyl)-1-(8-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrrolidin-2-one
CID 168509716
4-(chloromethyl)-1-(3,4-dichlorophenyl)pyrrolidin-2-one
CID 168508820
1-(2-chloro-6-methoxyphenyl)-4-(chloromethyl)pyrrolidin-2-one
CID 168507585
4-(chloromethyl)-1-(2-chloro-6-methyl-3-pyridinyl)pyrrolidin-2-one
CID 168507873
1-(2-amino-5-fluoroquinazolin-4-yl)-4-(chloromethyl)pyrrolidin-2-one
CID 168509266
4-(chloromethyl)-1-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrrolidin-2-one
CID 168509714
4-(chloromethyl)-1-pyrimidin-4-ylpyrrolidin-2-one
CID 168509710
1-(5-amino-2-chloropyrimidin-4-yl)-4-(chloromethyl)pyrrolidin-2-one
CID 168509113
1-quinazolin-2-yl-4-sulfanylpyrrolidin-2-one
CID 168710740

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-1-(5-chloroquinazolin-2-yl)pyrrolidin-2-one?
The IUPAC name of 4-(chloromethyl)-1-(5-chloroquinazolin-2-yl)pyrrolidin-2-one (CID 168509673) is 4-(chloromethyl)-1-(5-chloroquinazolin-2-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-(chloromethyl)-1-(5-chloroquinazolin-2-yl)pyrrolidin-2-one?
The canonical SMILES for 4-(chloromethyl)-1-(5-chloroquinazolin-2-yl)pyrrolidin-2-one is O=C1CC(CCl)CN1c1ncc2c(Cl)cccc2n1.
What is the InChIKey of 4-(chloromethyl)-1-(5-chloroquinazolin-2-yl)pyrrolidin-2-one?
The InChIKey is FYJFHJWEUOZYBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2N3O/c14-5-8-4-12(19)18(7-8)13-16-6-9-10(15)2-1-3-11(9)17-13/h1-3,6,8H,4-5,7H2.
What are the key properties of 4-(chloromethyl)-1-(5-chloroquinazolin-2-yl)pyrrolidin-2-one?
4-(chloromethyl)-1-(5-chloroquinazolin-2-yl)pyrrolidin-2-one has a molecular weight of 296.16 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-1-(5-chloroquinazolin-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 168509673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).