4-amino-1-(6-bromoquinazolin-4-yl)pyrrolidin-2-one

C12H11BrN4O — CID 168700953

IUPAC4-amino-1-(6-bromoquinazolin-4-yl)pyrrolidin-2-one
SMILESNC1CC(=O)N(c2ncnc3ccc(Br)cc23)C1
InChIInChI=1S/C12H11BrN4O/c13-7-1-2-10-9(3-7)12(16-6-15-10)17-5-8(14)4-11(17)18/h1-3,6,8H,4-5,14H2
InChIKeyCAFWBMZSPGYJPY-UHFFFAOYSA-N
MW307.15 g/mol
LogP1.46
Rot. Bonds1

About 4-amino-1-(6-bromoquinazolin-4-yl)pyrrolidin-2-one

4-amino-1-(6-bromoquinazolin-4-yl)pyrrolidin-2-one (PubChem CID 168700953) has the molecular formula C12H11BrN4O and a molecular weight of 307.15 g/mol. Its IUPAC name is 4-amino-1-(6-bromoquinazolin-4-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-amino-1-(6-bromoquinazolin-4-yl)pyrrolidin-2-one
PubChem CID168700953
Molecular FormulaC12H11BrN4O
Molecular Weight307.15 g/mol
Exact Mass306.01
IUPAC Name4-amino-1-(6-bromoquinazolin-4-yl)pyrrolidin-2-one
SMILESNC1CC(=O)N(c2ncnc3ccc(Br)cc23)C1
InChIInChI=1S/C12H11BrN4O/c13-7-1-2-10-9(3-7)12(16-6-15-10)17-5-8(14)4-11(17)18/h1-3,6,8H,4-5,14H2
InChIKeyCAFWBMZSPGYJPY-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-(6-bromoquinazolin-4-yl)-4-sulfanylpyrrolidin-2-one
CID 168710333
methyl 1-(6-bromoquinazolin-4-yl)-5-oxopyrrolidine-3-carboxylate
CID 168695059
6-bromo-4-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)quinazoline
CID 175652074
4-amino-1-(6-chloro-5-fluoropyrimidin-4-yl)pyrrolidin-2-one
CID 168700907
4-amino-1-(3-bromophenyl)pyrrolidin-2-one
CID 43521015
2-[1-(6-bromoquinazolin-4-yl)piperidin-3-yl]acetamide
CID 133356012
4-amino-1-(5-bromo-3-methoxy-2-pyridinyl)pyrrolidin-2-one
CID 168699602
4-amino-1-(3,5-dibromophenyl)pyrrolidin-2-one
CID 168700989
6-bromo-4-[4-(2-fluorophenyl)piperazin-1-yl]quinazoline
CID 87020699
4-amino-1-(4,6-dichloropyrimidin-5-yl)pyrrolidin-2-one
CID 168700417
4-amino-1-(2,4,6-tribromophenyl)pyrrolidin-2-one
CID 43521111
6-bromo-4-[4-(2,4-difluorophenyl)piperazin-1-yl]quinazoline
CID 170641448

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(6-bromoquinazolin-4-yl)pyrrolidin-2-one?
The IUPAC name of 4-amino-1-(6-bromoquinazolin-4-yl)pyrrolidin-2-one (CID 168700953) is 4-amino-1-(6-bromoquinazolin-4-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-amino-1-(6-bromoquinazolin-4-yl)pyrrolidin-2-one?
The canonical SMILES for 4-amino-1-(6-bromoquinazolin-4-yl)pyrrolidin-2-one is NC1CC(=O)N(c2ncnc3ccc(Br)cc23)C1.
What is the InChIKey of 4-amino-1-(6-bromoquinazolin-4-yl)pyrrolidin-2-one?
The InChIKey is CAFWBMZSPGYJPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN4O/c13-7-1-2-10-9(3-7)12(16-6-15-10)17-5-8(14)4-11(17)18/h1-3,6,8H,4-5,14H2.
What are the key properties of 4-amino-1-(6-bromoquinazolin-4-yl)pyrrolidin-2-one?
4-amino-1-(6-bromoquinazolin-4-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-(6-bromoquinazolin-4-yl)pyrrolidin-2-one is sourced from PubChem (CID 168700953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).