3-amino-1-(3-bromoquinolin-8-yl)piperidin-2-one

C14H14BrN3O — CID 116785604

IUPAC3-amino-1-(3-bromoquinolin-8-yl)piperidin-2-one
SMILESNC1CCCN(c2cccc3cc(Br)cnc23)C1=O
InChIInChI=1S/C14H14BrN3O/c15-10-7-9-3-1-5-12(13(9)17-8-10)18-6-2-4-11(16)14(18)19/h1,3,5,7-8,11H,2,4,6,16H2
InChIKeyPQQOIAOPMJRMKN-UHFFFAOYSA-N
MW320.19 g/mol
LogP2.45
Rot. Bonds1

About 3-amino-1-(3-bromoquinolin-8-yl)piperidin-2-one

3-amino-1-(3-bromoquinolin-8-yl)piperidin-2-one (PubChem CID 116785604) has the molecular formula C14H14BrN3O and a molecular weight of 320.19 g/mol. Its IUPAC name is 3-amino-1-(3-bromoquinolin-8-yl)piperidin-2-one.

Molecular Properties

Compound Name3-amino-1-(3-bromoquinolin-8-yl)piperidin-2-one
PubChem CID116785604
Molecular FormulaC14H14BrN3O
Molecular Weight320.19 g/mol
Exact Mass319.03
IUPAC Name3-amino-1-(3-bromoquinolin-8-yl)piperidin-2-one
SMILESNC1CCCN(c2cccc3cc(Br)cnc23)C1=O
InChIInChI=1S/C14H14BrN3O/c15-10-7-9-3-1-5-12(13(9)17-8-10)18-6-2-4-11(16)14(18)19/h1,3,5,7-8,11H,2,4,6,16H2
InChIKeyPQQOIAOPMJRMKN-UHFFFAOYSA-N
XLogP2.45
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-amino-1-(3-bromoquinolin-8-yl)piperidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-bromoquinolin-8-yl)-3-methyl-1,4-diazepane-2,5-dione
CID 116785723
1-(3-bromoquinolin-8-yl)imidazolidin-2-one
CID 116784875
1-(3-bromoquinolin-8-yl)-2-methylpiperidin-4-amine
CID 116784942
3-amino-1-(4-bromophenyl)piperidin-2-one
CID 22313458
3-(3-bromoquinolin-8-yl)imidazolidine-2,4-dione
CID 107841893
3-amino-1-(5-chloroquinolin-8-yl)piperidin-2-one
CID 116785599
1-(3-bromoquinolin-8-yl)-N-cyclopropylpyrrolidin-3-amine
CID 116785617
3-(3-bromoquinolin-8-yl)triazole-4-carboxylic acid
CID 116785401
N-[[1-(3-bromoquinolin-8-yl)pyrrolidin-3-yl]methyl]cyclopropanamine
CID 116784963
2-[1-(3-bromoquinolin-8-yl)triazol-4-yl]ethanamine
CID 116785445
(3S)-3-amino-1-(3-hydroxyquinolin-5-yl)pyrrolidin-2-one;hydrochloride
CID 70171944
3-bromo-8-[4-(bromomethyl)triazol-1-yl]quinoline
CID 116785501

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3-bromoquinolin-8-yl)piperidin-2-one?
The IUPAC name of 3-amino-1-(3-bromoquinolin-8-yl)piperidin-2-one (CID 116785604) is 3-amino-1-(3-bromoquinolin-8-yl)piperidin-2-one.
What is the SMILES notation for 3-amino-1-(3-bromoquinolin-8-yl)piperidin-2-one?
The canonical SMILES for 3-amino-1-(3-bromoquinolin-8-yl)piperidin-2-one is NC1CCCN(c2cccc3cc(Br)cnc23)C1=O.
What is the InChIKey of 3-amino-1-(3-bromoquinolin-8-yl)piperidin-2-one?
The InChIKey is PQQOIAOPMJRMKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O/c15-10-7-9-3-1-5-12(13(9)17-8-10)18-6-2-4-11(16)14(18)19/h1,3,5,7-8,11H,2,4,6,16H2.
What are the key properties of 3-amino-1-(3-bromoquinolin-8-yl)piperidin-2-one?
3-amino-1-(3-bromoquinolin-8-yl)piperidin-2-one has a molecular weight of 320.19 g/mol, XLogP of 2.45, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3-bromoquinolin-8-yl)piperidin-2-one is sourced from PubChem (CID 116785604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).