5-bromo-1-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]pyridin-2-one

C17H14BrClN2O — CID 9363322

IUPAC5-bromo-1-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]pyridin-2-one
SMILESCc1ccc2cc(Cn3cc(Br)ccc3=O)c(Cl)nc2c1C
InChIInChI=1S/C17H14BrClN2O/c1-10-3-4-12-7-13(17(19)20-16(12)11(10)2)8-21-9-14(18)5-6-15(21)22/h3-7,9H,8H2,1-2H3
InChIKeyUSKIDZCPAXYXFL-UHFFFAOYSA-N
MW377.67 g/mol
LogP4.48
Rot. Bonds2

About 5-bromo-1-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]pyridin-2-one

5-bromo-1-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]pyridin-2-one (PubChem CID 9363322) has the molecular formula C17H14BrClN2O and a molecular weight of 377.67 g/mol. Its IUPAC name is 5-bromo-1-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]pyridin-2-one.

Molecular Properties

Compound Name5-bromo-1-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]pyridin-2-one
PubChem CID9363322
Molecular FormulaC17H14BrClN2O
Molecular Weight377.67 g/mol
Exact Mass376.00
IUPAC Name5-bromo-1-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]pyridin-2-one
SMILESCc1ccc2cc(Cn3cc(Br)ccc3=O)c(Cl)nc2c1C
InChIInChI=1S/C17H14BrClN2O/c1-10-3-4-12-7-13(17(19)20-16(12)11(10)2)8-21-9-14(18)5-6-15(21)22/h3-7,9H,8H2,1-2H3
InChIKeyUSKIDZCPAXYXFL-UHFFFAOYSA-N
XLogP4.48
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.67
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]pyridin-2-one?
The IUPAC name of 5-bromo-1-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]pyridin-2-one (CID 9363322) is 5-bromo-1-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]pyridin-2-one.
What is the SMILES notation for 5-bromo-1-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]pyridin-2-one?
The canonical SMILES for 5-bromo-1-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]pyridin-2-one is Cc1ccc2cc(Cn3cc(Br)ccc3=O)c(Cl)nc2c1C.
What is the InChIKey of 5-bromo-1-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]pyridin-2-one?
The InChIKey is USKIDZCPAXYXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrClN2O/c1-10-3-4-12-7-13(17(19)20-16(12)11(10)2)8-21-9-14(18)5-6-15(21)22/h3-7,9H,8H2,1-2H3.
What are the key properties of 5-bromo-1-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]pyridin-2-one?
5-bromo-1-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]pyridin-2-one has a molecular weight of 377.67 g/mol, XLogP of 4.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]pyridin-2-one is sourced from PubChem (CID 9363322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).