5-bromo-1-methyl-6-(prop-2-enylamino)quinolin-2-one

C13H13BrN2O — CID 102035546

IUPAC5-bromo-1-methyl-6-(prop-2-enylamino)quinolin-2-one
SMILESC=CCNc1ccc2c(ccc(=O)n2C)c1Br
InChIInChI=1S/C13H13BrN2O/c1-3-8-15-10-5-6-11-9(13(10)14)4-7-12(17)16(11)2/h3-7,15H,1,8H2,2H3
InChIKeyREFLPQJFGOCCCC-UHFFFAOYSA-N
MW293.16 g/mol
LogP2.90
Rot. Bonds3

About 5-bromo-1-methyl-6-(prop-2-enylamino)quinolin-2-one

5-bromo-1-methyl-6-(prop-2-enylamino)quinolin-2-one (PubChem CID 102035546) has the molecular formula C13H13BrN2O and a molecular weight of 293.16 g/mol. Its IUPAC name is 5-bromo-1-methyl-6-(prop-2-enylamino)quinolin-2-one.

Molecular Properties

Compound Name5-bromo-1-methyl-6-(prop-2-enylamino)quinolin-2-one
PubChem CID102035546
Molecular FormulaC13H13BrN2O
Molecular Weight293.16 g/mol
Exact Mass292.02
IUPAC Name5-bromo-1-methyl-6-(prop-2-enylamino)quinolin-2-one
SMILESC=CCNc1ccc2c(ccc(=O)n2C)c1Br
InChIInChI=1S/C13H13BrN2O/c1-3-8-15-10-5-6-11-9(13(10)14)4-7-12(17)16(11)2/h3-7,15H,1,8H2,2H3
InChIKeyREFLPQJFGOCCCC-UHFFFAOYSA-N
XLogP2.90
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.16
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

CID 23648063
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CID 11745122
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CID 293080
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CID 59141000
CID 59141000
CID 1327435
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CID 15445059
CID 15445059
CID 24729508
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CID 131039733
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CID 124220765
CID 124220765
CID 3384164
CID 3384164
CID 15152789
CID 15152789

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-methyl-6-(prop-2-enylamino)quinolin-2-one?
The IUPAC name of 5-bromo-1-methyl-6-(prop-2-enylamino)quinolin-2-one (CID 102035546) is 5-bromo-1-methyl-6-(prop-2-enylamino)quinolin-2-one.
What is the SMILES notation for 5-bromo-1-methyl-6-(prop-2-enylamino)quinolin-2-one?
The canonical SMILES for 5-bromo-1-methyl-6-(prop-2-enylamino)quinolin-2-one is C=CCNc1ccc2c(ccc(=O)n2C)c1Br.
What is the InChIKey of 5-bromo-1-methyl-6-(prop-2-enylamino)quinolin-2-one?
The InChIKey is REFLPQJFGOCCCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O/c1-3-8-15-10-5-6-11-9(13(10)14)4-7-12(17)16(11)2/h3-7,15H,1,8H2,2H3.
What are the key properties of 5-bromo-1-methyl-6-(prop-2-enylamino)quinolin-2-one?
5-bromo-1-methyl-6-(prop-2-enylamino)quinolin-2-one has a molecular weight of 293.16 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-methyl-6-(prop-2-enylamino)quinolin-2-one is sourced from PubChem (CID 102035546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).