3-[[(6-bromoquinolin-2-yl)amino]methyl]-4,6-dimethyl-1H-pyridin-2-one

C17H16BrN3O — CID 133345552

IUPAC3-[[(6-bromoquinolin-2-yl)amino]methyl]-4,6-dimethyl-1H-pyridin-2-one
SMILESCc1cc(C)c(CNc2ccc3cc(Br)ccc3n2)c(=O)[nH]1
InChIInChI=1S/C17H16BrN3O/c1-10-7-11(2)20-17(22)14(10)9-19-16-6-3-12-8-13(18)4-5-15(12)21-16/h3-8H,9H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyMZMBWLXLPRGMAH-UHFFFAOYSA-N
MW358.24 g/mol
LogP3.91
Rot. Bonds3

About 3-[[(6-bromoquinolin-2-yl)amino]methyl]-4,6-dimethyl-1H-pyridin-2-one

3-[[(6-bromoquinolin-2-yl)amino]methyl]-4,6-dimethyl-1H-pyridin-2-one (PubChem CID 133345552) has the molecular formula C17H16BrN3O and a molecular weight of 358.24 g/mol. Its IUPAC name is 3-[[(6-bromoquinolin-2-yl)amino]methyl]-4,6-dimethyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[[(6-bromoquinolin-2-yl)amino]methyl]-4,6-dimethyl-1H-pyridin-2-one
PubChem CID133345552
Molecular FormulaC17H16BrN3O
Molecular Weight358.24 g/mol
Exact Mass357.05
IUPAC Name3-[[(6-bromoquinolin-2-yl)amino]methyl]-4,6-dimethyl-1H-pyridin-2-one
SMILESCc1cc(C)c(CNc2ccc3cc(Br)ccc3n2)c(=O)[nH]1
InChIInChI=1S/C17H16BrN3O/c1-10-7-11(2)20-17(22)14(10)9-19-16-6-3-12-8-13(18)4-5-15(12)21-16/h3-8H,9H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyMZMBWLXLPRGMAH-UHFFFAOYSA-N
XLogP3.91
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.24
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[(6-bromoquinolin-2-yl)amino]methyl]-4,6-dimethyl-1H-pyridin-2-one?
The IUPAC name of 3-[[(6-bromoquinolin-2-yl)amino]methyl]-4,6-dimethyl-1H-pyridin-2-one (CID 133345552) is 3-[[(6-bromoquinolin-2-yl)amino]methyl]-4,6-dimethyl-1H-pyridin-2-one.
What is the SMILES notation for 3-[[(6-bromoquinolin-2-yl)amino]methyl]-4,6-dimethyl-1H-pyridin-2-one?
The canonical SMILES for 3-[[(6-bromoquinolin-2-yl)amino]methyl]-4,6-dimethyl-1H-pyridin-2-one is Cc1cc(C)c(CNc2ccc3cc(Br)ccc3n2)c(=O)[nH]1.
What is the InChIKey of 3-[[(6-bromoquinolin-2-yl)amino]methyl]-4,6-dimethyl-1H-pyridin-2-one?
The InChIKey is MZMBWLXLPRGMAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN3O/c1-10-7-11(2)20-17(22)14(10)9-19-16-6-3-12-8-13(18)4-5-15(12)21-16/h3-8H,9H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of 3-[[(6-bromoquinolin-2-yl)amino]methyl]-4,6-dimethyl-1H-pyridin-2-one?
3-[[(6-bromoquinolin-2-yl)amino]methyl]-4,6-dimethyl-1H-pyridin-2-one has a molecular weight of 358.24 g/mol, XLogP of 3.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(6-bromoquinolin-2-yl)amino]methyl]-4,6-dimethyl-1H-pyridin-2-one is sourced from PubChem (CID 133345552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).