3-(2-bromoanilino)-1-methylquinolin-2-one

C16H13BrN2O — CID 24906050

IUPAC3-(2-bromoanilino)-1-methylquinolin-2-one
SMILESCn1c(=O)c(Nc2ccccc2Br)cc2ccccc21
InChIInChI=1S/C16H13BrN2O/c1-19-15-9-5-2-6-11(15)10-14(16(19)20)18-13-8-4-3-7-12(13)17/h2-10,18H,1H3
InChIKeyPZYDAEBROPBAIJ-UHFFFAOYSA-N
MW329.20 g/mol
LogP4.04
Rot. Bonds2

About 3-(2-bromoanilino)-1-methylquinolin-2-one

3-(2-bromoanilino)-1-methylquinolin-2-one (PubChem CID 24906050) has the molecular formula C16H13BrN2O and a molecular weight of 329.20 g/mol. Its IUPAC name is 3-(2-bromoanilino)-1-methylquinolin-2-one.

Molecular Properties

Compound Name3-(2-bromoanilino)-1-methylquinolin-2-one
PubChem CID24906050
Molecular FormulaC16H13BrN2O
Molecular Weight329.20 g/mol
Exact Mass328.02
IUPAC Name3-(2-bromoanilino)-1-methylquinolin-2-one
SMILESCn1c(=O)c(Nc2ccccc2Br)cc2ccccc21
InChIInChI=1S/C16H13BrN2O/c1-19-15-9-5-2-6-11(15)10-14(16(19)20)18-13-8-4-3-7-12(13)17/h2-10,18H,1H3
InChIKeyPZYDAEBROPBAIJ-UHFFFAOYSA-N
XLogP4.04
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.20
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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3-iodo-1-methylquinolin-2-one
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3-amino-1-methylquinolin-2-one
CID 19417653
2-(2-bromophenyl)-1-methylindole
CID 127263547
3-(1-amino-2-methylpropan-2-yl)-1-methylquinolin-2-one
CID 84626143
3-(2,2-dimethylpropyl)-1-methylquinolin-2-one
CID 59736944
2,5-dibromo-N-(2-bromophenyl)aniline
CID 101290775
3-(furan-2-yl)-1-methylquinolin-2-one
CID 15733006
3-(4-aminophenyl)-1-methylquinolin-2-one;ethane
CID 90778369
3-bromo-1-ethylquinolin-2-one
CID 116985609
CID 175336040
CID 175336040
3-cyclooctyl-1-methylquinolin-2-one
CID 166438845

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromoanilino)-1-methylquinolin-2-one?
The IUPAC name of 3-(2-bromoanilino)-1-methylquinolin-2-one (CID 24906050) is 3-(2-bromoanilino)-1-methylquinolin-2-one.
What is the SMILES notation for 3-(2-bromoanilino)-1-methylquinolin-2-one?
The canonical SMILES for 3-(2-bromoanilino)-1-methylquinolin-2-one is Cn1c(=O)c(Nc2ccccc2Br)cc2ccccc21.
What is the InChIKey of 3-(2-bromoanilino)-1-methylquinolin-2-one?
The InChIKey is PZYDAEBROPBAIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O/c1-19-15-9-5-2-6-11(15)10-14(16(19)20)18-13-8-4-3-7-12(13)17/h2-10,18H,1H3.
What are the key properties of 3-(2-bromoanilino)-1-methylquinolin-2-one?
3-(2-bromoanilino)-1-methylquinolin-2-one has a molecular weight of 329.20 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromoanilino)-1-methylquinolin-2-one is sourced from PubChem (CID 24906050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).