6-bromo-1-methyl-3-piperidin-1-ylquinolin-2-one

C15H17BrN2O — CID 135007599

IUPAC6-bromo-1-methyl-3-piperidin-1-ylquinolin-2-one
SMILESCn1c(=O)c(N2CCCCC2)cc2cc(Br)ccc21
InChIInChI=1S/C15H17BrN2O/c1-17-13-6-5-12(16)9-11(13)10-14(15(17)19)18-7-3-2-4-8-18/h5-6,9-10H,2-4,7-8H2,1H3
InChIKeyRDYIOPFGLQNBGH-UHFFFAOYSA-N
MW321.22 g/mol
LogP3.29
Rot. Bonds1

About 6-bromo-1-methyl-3-piperidin-1-ylquinolin-2-one

6-bromo-1-methyl-3-piperidin-1-ylquinolin-2-one (PubChem CID 135007599) has the molecular formula C15H17BrN2O and a molecular weight of 321.22 g/mol. Its IUPAC name is 6-bromo-1-methyl-3-piperidin-1-ylquinolin-2-one.

Molecular Properties

Compound Name6-bromo-1-methyl-3-piperidin-1-ylquinolin-2-one
PubChem CID135007599
Molecular FormulaC15H17BrN2O
Molecular Weight321.22 g/mol
Exact Mass320.05
IUPAC Name6-bromo-1-methyl-3-piperidin-1-ylquinolin-2-one
SMILESCn1c(=O)c(N2CCCCC2)cc2cc(Br)ccc21
InChIInChI=1S/C15H17BrN2O/c1-17-13-6-5-12(16)9-11(13)10-14(15(17)19)18-7-3-2-4-8-18/h5-6,9-10H,2-4,7-8H2,1H3
InChIKeyRDYIOPFGLQNBGH-UHFFFAOYSA-N
XLogP3.29
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-bromo-1-methyl-3-piperidin-1-ylquinolin-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

4-bromo-N-(1,4-dimethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)benzenesulfonamide
CID 20946710
1,3-dimethyl-6-pyrrolidin-1-ylquinolin-2-one
CID 168514090
1-(4-bromo-2-methylphenyl)piperidine
CID 66800775
2-(6-bromo-1-methyl-2-oxoquinolin-3-yl)-2-methylpropanoic acid
CID 84646109
6-bromo-3-(1,4-dioxan-2-yl)-1-methylquinolin-2-one
CID 166440171
5-bromo-2-pyrrolidin-1-ylbenzaldehyde
CID 23091126
2-(5-bromo-1-methylindol-2-yl)-2-hydroxyacetic acid
CID 115072027
1-(4-bromo-2-piperidin-1-ylphenyl)ethanamine
CID 82972487
N-(1,4-dimethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)-4-fluorobenzenesulfonamide
CID 20946704
N-(1,4-dimethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)-4-fluoro-3-methylbenzenesulfonamide
CID 22433280
4-bromo-2-pyrrolidin-1-ylphenol
CID 84703170
2,7-difluoro-10-methyl-3,6-di(piperidin-1-yl)acridin-9-one
CID 56956863

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-methyl-3-piperidin-1-ylquinolin-2-one?
The IUPAC name of 6-bromo-1-methyl-3-piperidin-1-ylquinolin-2-one (CID 135007599) is 6-bromo-1-methyl-3-piperidin-1-ylquinolin-2-one.
What is the SMILES notation for 6-bromo-1-methyl-3-piperidin-1-ylquinolin-2-one?
The canonical SMILES for 6-bromo-1-methyl-3-piperidin-1-ylquinolin-2-one is Cn1c(=O)c(N2CCCCC2)cc2cc(Br)ccc21.
What is the InChIKey of 6-bromo-1-methyl-3-piperidin-1-ylquinolin-2-one?
The InChIKey is RDYIOPFGLQNBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O/c1-17-13-6-5-12(16)9-11(13)10-14(15(17)19)18-7-3-2-4-8-18/h5-6,9-10H,2-4,7-8H2,1H3.
What are the key properties of 6-bromo-1-methyl-3-piperidin-1-ylquinolin-2-one?
6-bromo-1-methyl-3-piperidin-1-ylquinolin-2-one has a molecular weight of 321.22 g/mol, XLogP of 3.29, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-methyl-3-piperidin-1-ylquinolin-2-one is sourced from PubChem (CID 135007599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).