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

C12H11BrN4O — CID 168701329

IUPAC4-amino-1-(5-bromoquinazolin-2-yl)pyrrolidin-2-one
SMILESNC1CC(=O)N(c2ncc3c(Br)cccc3n2)C1
InChIInChI=1S/C12H11BrN4O/c13-9-2-1-3-10-8(9)5-15-12(16-10)17-6-7(14)4-11(17)18/h1-3,5,7H,4,6,14H2
InChIKeyBDEMSZXZFGZQOY-UHFFFAOYSA-N
MW307.15 g/mol
LogP1.46
Rot. Bonds1

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

4-amino-1-(5-bromoquinazolin-2-yl)pyrrolidin-2-one (PubChem CID 168701329) has the molecular formula C12H11BrN4O and a molecular weight of 307.15 g/mol. Its IUPAC name is 4-amino-1-(5-bromoquinazolin-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-amino-1-(5-bromoquinazolin-2-yl)pyrrolidin-2-one
PubChem CID168701329
Molecular FormulaC12H11BrN4O
Molecular Weight307.15 g/mol
Exact Mass306.01
IUPAC Name4-amino-1-(5-bromoquinazolin-2-yl)pyrrolidin-2-one
SMILESNC1CC(=O)N(c2ncc3c(Br)cccc3n2)C1
InChIInChI=1S/C12H11BrN4O/c13-9-2-1-3-10-8(9)5-15-12(16-10)17-6-7(14)4-11(17)18/h1-3,5,7H,4,6,14H2
InChIKeyBDEMSZXZFGZQOY-UHFFFAOYSA-N
XLogP1.46
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.15
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-bromoquinazolin-2-yl)-4-(chloromethyl)pyrrolidin-2-one
CID 168509672
4-(chloromethyl)-1-(5-chloroquinazolin-2-yl)pyrrolidin-2-one
CID 168509673
[1-(5-chloroquinazolin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677864
4-amino-1-(4-bromonaphthalen-1-yl)pyrrolidin-2-one
CID 113384546
5-bromo-2-(3,3-dimethylazetidin-1-yl)quinazoline
CID 165498646
4-amino-1-(3-amino-2,5-dibromo-4-pyridinyl)pyrrolidin-2-one
CID 168700362
1-quinazolin-2-yl-4-sulfanylpyrrolidin-2-one
CID 168710740
4-amino-1-(4-amino-6-phenyl-1,3,5-triazin-2-yl)pyrrolidin-2-one
CID 168701244
4-amino-1-(2-chloroquinolin-4-yl)pyrrolidin-2-one
CID 168701052
4-amino-1-(3-bromophenyl)pyrrolidin-2-one
CID 43521015
4-amino-1-(2-bromo-6-methyl-3-pyridinyl)pyrrolidin-2-one
CID 168699843
4-amino-1-(4,6-dichloropyrimidin-2-yl)pyrrolidin-2-one
CID 168701271

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(5-bromoquinazolin-2-yl)pyrrolidin-2-one?
The IUPAC name of 4-amino-1-(5-bromoquinazolin-2-yl)pyrrolidin-2-one (CID 168701329) is 4-amino-1-(5-bromoquinazolin-2-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-amino-1-(5-bromoquinazolin-2-yl)pyrrolidin-2-one?
The canonical SMILES for 4-amino-1-(5-bromoquinazolin-2-yl)pyrrolidin-2-one is NC1CC(=O)N(c2ncc3c(Br)cccc3n2)C1.
What is the InChIKey of 4-amino-1-(5-bromoquinazolin-2-yl)pyrrolidin-2-one?
The InChIKey is BDEMSZXZFGZQOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN4O/c13-9-2-1-3-10-8(9)5-15-12(16-10)17-6-7(14)4-11(17)18/h1-3,5,7H,4,6,14H2.
What are the key properties of 4-amino-1-(5-bromoquinazolin-2-yl)pyrrolidin-2-one?
4-amino-1-(5-bromoquinazolin-2-yl)pyrrolidin-2-one has a molecular weight of 307.15 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(5-bromoquinazolin-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 168701329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).