5-(2-bromophenyl)-1H-quinolin-4-one

C15H10BrNO — CID 155929504

IUPAC5-(2-bromophenyl)-1H-quinolin-4-one
SMILESO=c1cc[nH]c2cccc(-c3ccccc3Br)c12
InChIInChI=1S/C15H10BrNO/c16-12-6-2-1-4-10(12)11-5-3-7-13-15(11)14(18)8-9-17-13/h1-9H,(H,17,18)
InChIKeyMTPJJWZZYVLHRP-UHFFFAOYSA-N
MW300.16 g/mol
LogP3.96
Rot. Bonds1

About 5-(2-bromophenyl)-1H-quinolin-4-one

5-(2-bromophenyl)-1H-quinolin-4-one (PubChem CID 155929504) has the molecular formula C15H10BrNO and a molecular weight of 300.16 g/mol. Its IUPAC name is 5-(2-bromophenyl)-1H-quinolin-4-one.

Molecular Properties

Compound Name5-(2-bromophenyl)-1H-quinolin-4-one
PubChem CID155929504
Molecular FormulaC15H10BrNO
Molecular Weight300.16 g/mol
Exact Mass298.99
IUPAC Name5-(2-bromophenyl)-1H-quinolin-4-one
SMILESO=c1cc[nH]c2cccc(-c3ccccc3Br)c12
InChIInChI=1S/C15H10BrNO/c16-12-6-2-1-4-10(12)11-5-3-7-13-15(11)14(18)8-9-17-13/h1-9H,(H,17,18)
InChIKeyMTPJJWZZYVLHRP-UHFFFAOYSA-N
XLogP3.96
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.16
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(2-bromophenyl)-1H-quinolin-4-one?
The IUPAC name of 5-(2-bromophenyl)-1H-quinolin-4-one (CID 155929504) is 5-(2-bromophenyl)-1H-quinolin-4-one.
What is the SMILES notation for 5-(2-bromophenyl)-1H-quinolin-4-one?
The canonical SMILES for 5-(2-bromophenyl)-1H-quinolin-4-one is O=c1cc[nH]c2cccc(-c3ccccc3Br)c12.
What is the InChIKey of 5-(2-bromophenyl)-1H-quinolin-4-one?
The InChIKey is MTPJJWZZYVLHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrNO/c16-12-6-2-1-4-10(12)11-5-3-7-13-15(11)14(18)8-9-17-13/h1-9H,(H,17,18).
What are the key properties of 5-(2-bromophenyl)-1H-quinolin-4-one?
5-(2-bromophenyl)-1H-quinolin-4-one has a molecular weight of 300.16 g/mol, XLogP of 3.96, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromophenyl)-1H-quinolin-4-one is sourced from PubChem (CID 155929504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).