6-bromo-4-(3-ethenylphenyl)-1H-quinolin-2-one

C17H12BrNO — CID 168914692

IUPAC6-bromo-4-(3-ethenylphenyl)-1H-quinolin-2-one
SMILESC=Cc1cccc(-c2cc(=O)[nH]c3ccc(Br)cc23)c1
InChIInChI=1S/C17H12BrNO/c1-2-11-4-3-5-12(8-11)14-10-17(20)19-16-7-6-13(18)9-15(14)16/h2-10H,1H2,(H,19,20)
InChIKeyWARDKQYFJWVMON-UHFFFAOYSA-N
MW326.19 g/mol
LogP4.60
Rot. Bonds2

About 6-bromo-4-(3-ethenylphenyl)-1H-quinolin-2-one

6-bromo-4-(3-ethenylphenyl)-1H-quinolin-2-one (PubChem CID 168914692) has the molecular formula C17H12BrNO and a molecular weight of 326.19 g/mol. Its IUPAC name is 6-bromo-4-(3-ethenylphenyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name6-bromo-4-(3-ethenylphenyl)-1H-quinolin-2-one
PubChem CID168914692
Molecular FormulaC17H12BrNO
Molecular Weight326.19 g/mol
Exact Mass325.01
IUPAC Name6-bromo-4-(3-ethenylphenyl)-1H-quinolin-2-one
SMILESC=Cc1cccc(-c2cc(=O)[nH]c3ccc(Br)cc23)c1
InChIInChI=1S/C17H12BrNO/c1-2-11-4-3-5-12(8-11)14-10-17(20)19-16-7-6-13(18)9-15(14)16/h2-10H,1H2,(H,19,20)
InChIKeyWARDKQYFJWVMON-UHFFFAOYSA-N
XLogP4.60
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.19
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-(3-ethenylphenyl)-1H-quinolin-2-one?
The IUPAC name of 6-bromo-4-(3-ethenylphenyl)-1H-quinolin-2-one (CID 168914692) is 6-bromo-4-(3-ethenylphenyl)-1H-quinolin-2-one.
What is the SMILES notation for 6-bromo-4-(3-ethenylphenyl)-1H-quinolin-2-one?
The canonical SMILES for 6-bromo-4-(3-ethenylphenyl)-1H-quinolin-2-one is C=Cc1cccc(-c2cc(=O)[nH]c3ccc(Br)cc23)c1.
What is the InChIKey of 6-bromo-4-(3-ethenylphenyl)-1H-quinolin-2-one?
The InChIKey is WARDKQYFJWVMON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrNO/c1-2-11-4-3-5-12(8-11)14-10-17(20)19-16-7-6-13(18)9-15(14)16/h2-10H,1H2,(H,19,20).
What are the key properties of 6-bromo-4-(3-ethenylphenyl)-1H-quinolin-2-one?
6-bromo-4-(3-ethenylphenyl)-1H-quinolin-2-one has a molecular weight of 326.19 g/mol, XLogP of 4.60, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-(3-ethenylphenyl)-1H-quinolin-2-one is sourced from PubChem (CID 168914692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).