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

C13H11BrClN3O — CID 168509672

IUPAC1-(5-bromoquinazolin-2-yl)-4-(chloromethyl)pyrrolidin-2-one
SMILESO=C1CC(CCl)CN1c1ncc2c(Br)cccc2n1
InChIInChI=1S/C13H11BrClN3O/c14-10-2-1-3-11-9(10)6-16-13(17-11)18-7-8(5-15)4-12(18)19/h1-3,6,8H,4-5,7H2
InChIKeyWCVAVZVIKQKPQY-UHFFFAOYSA-N
MW340.61 g/mol
LogP2.98
Rot. Bonds2

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

1-(5-bromoquinazolin-2-yl)-4-(chloromethyl)pyrrolidin-2-one (PubChem CID 168509672) has the molecular formula C13H11BrClN3O and a molecular weight of 340.61 g/mol. Its IUPAC name is 1-(5-bromoquinazolin-2-yl)-4-(chloromethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(5-bromoquinazolin-2-yl)-4-(chloromethyl)pyrrolidin-2-one
PubChem CID168509672
Molecular FormulaC13H11BrClN3O
Molecular Weight340.61 g/mol
Exact Mass338.98
IUPAC Name1-(5-bromoquinazolin-2-yl)-4-(chloromethyl)pyrrolidin-2-one
SMILESO=C1CC(CCl)CN1c1ncc2c(Br)cccc2n1
InChIInChI=1S/C13H11BrClN3O/c14-10-2-1-3-11-9(10)6-16-13(17-11)18-7-8(5-15)4-12(18)19/h1-3,6,8H,4-5,7H2
InChIKeyWCVAVZVIKQKPQY-UHFFFAOYSA-N
XLogP2.98
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.61
LogP ≤ 52.98
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

4-(chloromethyl)-1-(5-chloroquinazolin-2-yl)pyrrolidin-2-one
CID 168509673
4-amino-1-(5-bromoquinazolin-2-yl)pyrrolidin-2-one
CID 168701329
[1-(5-chloroquinazolin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677864
1-(3-amino-2,5-dibromo-4-pyridinyl)-4-(chloromethyl)pyrrolidin-2-one
CID 168508541
4-(chloromethyl)-1-(3,4-dibromophenyl)pyrrolidin-2-one
CID 168508786
4-(chloromethyl)-1-(3,5-dibromo-4-chloro-2-pyridinyl)pyrrolidin-2-one
CID 168509171
1-(5-bromo-4-chloro-2-pyridinyl)-4-(chloromethyl)pyrrolidin-2-one
CID 168509146
1-(4-amino-2,5-dibromo-3-pyridinyl)-4-(chloromethyl)pyrrolidin-2-one
CID 168508540
[1-(5-bromo-4-chloropyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677345
[1-(4-aminoquinazolin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168683303
1-(2-amino-5-fluoroquinazolin-4-yl)-4-(chloromethyl)pyrrolidin-2-one
CID 168509266
4-(chloromethyl)-1-pyrimidin-4-ylpyrrolidin-2-one
CID 168509710

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromoquinazolin-2-yl)-4-(chloromethyl)pyrrolidin-2-one?
The IUPAC name of 1-(5-bromoquinazolin-2-yl)-4-(chloromethyl)pyrrolidin-2-one (CID 168509672) is 1-(5-bromoquinazolin-2-yl)-4-(chloromethyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(5-bromoquinazolin-2-yl)-4-(chloromethyl)pyrrolidin-2-one?
The canonical SMILES for 1-(5-bromoquinazolin-2-yl)-4-(chloromethyl)pyrrolidin-2-one is O=C1CC(CCl)CN1c1ncc2c(Br)cccc2n1.
What is the InChIKey of 1-(5-bromoquinazolin-2-yl)-4-(chloromethyl)pyrrolidin-2-one?
The InChIKey is WCVAVZVIKQKPQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrClN3O/c14-10-2-1-3-11-9(10)6-16-13(17-11)18-7-8(5-15)4-12(18)19/h1-3,6,8H,4-5,7H2.
What are the key properties of 1-(5-bromoquinazolin-2-yl)-4-(chloromethyl)pyrrolidin-2-one?
1-(5-bromoquinazolin-2-yl)-4-(chloromethyl)pyrrolidin-2-one has a molecular weight of 340.61 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromoquinazolin-2-yl)-4-(chloromethyl)pyrrolidin-2-one is sourced from PubChem (CID 168509672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).