5-bromo-7-chloro-1-methyl-3,4-dihydroquinolin-2-one

C10H9BrClNO — CID 171809439

IUPAC5-bromo-7-chloro-1-methyl-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CCc2c(Br)cc(Cl)cc21
InChIInChI=1S/C10H9BrClNO/c1-13-9-5-6(12)4-8(11)7(9)2-3-10(13)14/h4-5H,2-3H2,1H3
InChIKeyHIIKFPXSDPPVLL-UHFFFAOYSA-N
MW274.54 g/mol
LogP3.01
Rot. Bonds

About 5-bromo-7-chloro-1-methyl-3,4-dihydroquinolin-2-one

5-bromo-7-chloro-1-methyl-3,4-dihydroquinolin-2-one (PubChem CID 171809439) has the molecular formula C10H9BrClNO and a molecular weight of 274.54 g/mol. Its IUPAC name is 5-bromo-7-chloro-1-methyl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name5-bromo-7-chloro-1-methyl-3,4-dihydroquinolin-2-one
PubChem CID171809439
Molecular FormulaC10H9BrClNO
Molecular Weight274.54 g/mol
Exact Mass272.96
IUPAC Name5-bromo-7-chloro-1-methyl-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CCc2c(Br)cc(Cl)cc21
InChIInChI=1S/C10H9BrClNO/c1-13-9-5-6(12)4-8(11)7(9)2-3-10(13)14/h4-5H,2-3H2,1H3
InChIKeyHIIKFPXSDPPVLL-UHFFFAOYSA-N
XLogP3.01
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.54
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-7-chloro-1-methyl-3,4-dihydroquinolin-2-one?
The IUPAC name of 5-bromo-7-chloro-1-methyl-3,4-dihydroquinolin-2-one (CID 171809439) is 5-bromo-7-chloro-1-methyl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 5-bromo-7-chloro-1-methyl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 5-bromo-7-chloro-1-methyl-3,4-dihydroquinolin-2-one is CN1C(=O)CCc2c(Br)cc(Cl)cc21.
What is the InChIKey of 5-bromo-7-chloro-1-methyl-3,4-dihydroquinolin-2-one?
The InChIKey is HIIKFPXSDPPVLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrClNO/c1-13-9-5-6(12)4-8(11)7(9)2-3-10(13)14/h4-5H,2-3H2,1H3.
What are the key properties of 5-bromo-7-chloro-1-methyl-3,4-dihydroquinolin-2-one?
5-bromo-7-chloro-1-methyl-3,4-dihydroquinolin-2-one has a molecular weight of 274.54 g/mol, XLogP of 3.01, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-7-chloro-1-methyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 171809439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).