6-bromo-3-(piperidin-3-ylmethyl)-1H-quinolin-2-one

C15H17BrN2O — CID 84645834

IUPAC6-bromo-3-(piperidin-3-ylmethyl)-1H-quinolin-2-one
SMILESO=c1[nH]c2ccc(Br)cc2cc1CC1CCCNC1
InChIInChI=1S/C15H17BrN2O/c16-13-3-4-14-11(8-13)7-12(15(19)18-14)6-10-2-1-5-17-9-10/h3-4,7-8,10,17H,1-2,5-6,9H2,(H,18,19)
InChIKeyJVDZLLQLXVKSIR-UHFFFAOYSA-N
MW321.22 g/mol
LogP2.83
Rot. Bonds2

About 6-bromo-3-(piperidin-3-ylmethyl)-1H-quinolin-2-one

6-bromo-3-(piperidin-3-ylmethyl)-1H-quinolin-2-one (PubChem CID 84645834) has the molecular formula C15H17BrN2O and a molecular weight of 321.22 g/mol. Its IUPAC name is 6-bromo-3-(piperidin-3-ylmethyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name6-bromo-3-(piperidin-3-ylmethyl)-1H-quinolin-2-one
PubChem CID84645834
Molecular FormulaC15H17BrN2O
Molecular Weight321.22 g/mol
Exact Mass320.05
IUPAC Name6-bromo-3-(piperidin-3-ylmethyl)-1H-quinolin-2-one
SMILESO=c1[nH]c2ccc(Br)cc2cc1CC1CCCNC1
InChIInChI=1S/C15H17BrN2O/c16-13-3-4-14-11(8-13)7-12(15(19)18-14)6-10-2-1-5-17-9-10/h3-4,7-8,10,17H,1-2,5-6,9H2,(H,18,19)
InChIKeyJVDZLLQLXVKSIR-UHFFFAOYSA-N
XLogP2.83
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-methyl-3-(piperidin-3-ylmethyl)-1H-quinolin-2-one
CID 84635995
6-chloro-3-(pyrrolidin-3-ylmethyl)-1H-quinolin-2-one
CID 84639003
5-bromo-2-methyl-3-(piperidin-3-ylmethyl)-1H-indole
CID 84644930
3-methyl-6-(piperidin-3-ylmethyl)-1H-quinolin-2-one
CID 116997535
6-methyl-3-(piperidin-4-ylmethyl)-1H-quinolin-2-one
CID 84635994
5-bromo-3-(piperidin-3-ylmethyl)benzene-1,2-diol
CID 84813511
3-[(5-bromo-3-ethyl-2-methoxyphenyl)methyl]piperidine
CID 117497365
6-bromo-2-(piperidin-3-ylmethyl)-1,3-benzothiazole
CID 79533850
6-bromo-2-(pyrrolidin-3-ylmethyl)-1H-indole
CID 83489089
6-(piperidin-3-ylmethylamino)-1,4-dihydroquinoxaline-2,3-dione
CID 80554033
3-[(2-bromo-3,4-difluorophenyl)methyl]piperidine
CID 84814784
(3R)-3-[(4-bromo-2-ethylphenoxy)methyl]piperidine
CID 86321965

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(piperidin-3-ylmethyl)-1H-quinolin-2-one?
The IUPAC name of 6-bromo-3-(piperidin-3-ylmethyl)-1H-quinolin-2-one (CID 84645834) is 6-bromo-3-(piperidin-3-ylmethyl)-1H-quinolin-2-one.
What is the SMILES notation for 6-bromo-3-(piperidin-3-ylmethyl)-1H-quinolin-2-one?
The canonical SMILES for 6-bromo-3-(piperidin-3-ylmethyl)-1H-quinolin-2-one is O=c1[nH]c2ccc(Br)cc2cc1CC1CCCNC1.
What is the InChIKey of 6-bromo-3-(piperidin-3-ylmethyl)-1H-quinolin-2-one?
The InChIKey is JVDZLLQLXVKSIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O/c16-13-3-4-14-11(8-13)7-12(15(19)18-14)6-10-2-1-5-17-9-10/h3-4,7-8,10,17H,1-2,5-6,9H2,(H,18,19).
What are the key properties of 6-bromo-3-(piperidin-3-ylmethyl)-1H-quinolin-2-one?
6-bromo-3-(piperidin-3-ylmethyl)-1H-quinolin-2-one has a molecular weight of 321.22 g/mol, XLogP of 2.83, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(piperidin-3-ylmethyl)-1H-quinolin-2-one is sourced from PubChem (CID 84645834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).