3,8-dibromo-1H-quinolin-2-one

C9H5Br2NO — CID 91465059

IUPAC3,8-dibromo-1H-quinolin-2-one
SMILESO=c1[nH]c2c(Br)cccc2cc1Br
InChIInChI=1S/C9H5Br2NO/c10-6-3-1-2-5-4-7(11)9(13)12-8(5)6/h1-4H,(H,12,13)
InChIKeyCQJXDCXZLLOVOG-UHFFFAOYSA-N
MW302.95 g/mol
LogP3.05
Rot. Bonds

About 3,8-dibromo-1H-quinolin-2-one

3,8-dibromo-1H-quinolin-2-one (PubChem CID 91465059) has the molecular formula C9H5Br2NO and a molecular weight of 302.95 g/mol. Its IUPAC name is 3,8-dibromo-1H-quinolin-2-one.

Molecular Properties

Compound Name3,8-dibromo-1H-quinolin-2-one
PubChem CID91465059
Molecular FormulaC9H5Br2NO
Molecular Weight302.95 g/mol
Exact Mass300.87
IUPAC Name3,8-dibromo-1H-quinolin-2-one
SMILESO=c1[nH]c2c(Br)cccc2cc1Br
InChIInChI=1S/C9H5Br2NO/c10-6-3-1-2-5-4-7(11)9(13)12-8(5)6/h1-4H,(H,12,13)
InChIKeyCQJXDCXZLLOVOG-UHFFFAOYSA-N
XLogP3.05
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.95
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,8-dibromo-1H-quinolin-2-one?
The IUPAC name of 3,8-dibromo-1H-quinolin-2-one (CID 91465059) is 3,8-dibromo-1H-quinolin-2-one.
What is the SMILES notation for 3,8-dibromo-1H-quinolin-2-one?
The canonical SMILES for 3,8-dibromo-1H-quinolin-2-one is O=c1[nH]c2c(Br)cccc2cc1Br.
What is the InChIKey of 3,8-dibromo-1H-quinolin-2-one?
The InChIKey is CQJXDCXZLLOVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Br2NO/c10-6-3-1-2-5-4-7(11)9(13)12-8(5)6/h1-4H,(H,12,13).
What are the key properties of 3,8-dibromo-1H-quinolin-2-one?
3,8-dibromo-1H-quinolin-2-one has a molecular weight of 302.95 g/mol, XLogP of 3.05, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-dibromo-1H-quinolin-2-one is sourced from PubChem (CID 91465059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).