3,5-dibromo-8-chloro-1H-quinolin-4-one

C9H4Br2ClNO — CID 114759466

IUPAC3,5-dibromo-8-chloro-1H-quinolin-4-one
SMILESO=c1c(Br)c[nH]c2c(Cl)ccc(Br)c12
InChIInChI=1S/C9H4Br2ClNO/c10-4-1-2-6(12)8-7(4)9(14)5(11)3-13-8/h1-3H,(H,13,14)
InChIKeyNJUGKBVAWMDKIG-UHFFFAOYSA-N
MW337.40 g/mol
LogP3.71
Rot. Bonds

About 3,5-dibromo-8-chloro-1H-quinolin-4-one

3,5-dibromo-8-chloro-1H-quinolin-4-one (PubChem CID 114759466) has the molecular formula C9H4Br2ClNO and a molecular weight of 337.40 g/mol. Its IUPAC name is 3,5-dibromo-8-chloro-1H-quinolin-4-one.

Molecular Properties

Compound Name3,5-dibromo-8-chloro-1H-quinolin-4-one
PubChem CID114759466
Molecular FormulaC9H4Br2ClNO
Molecular Weight337.40 g/mol
Exact Mass334.83
IUPAC Name3,5-dibromo-8-chloro-1H-quinolin-4-one
SMILESO=c1c(Br)c[nH]c2c(Cl)ccc(Br)c12
InChIInChI=1S/C9H4Br2ClNO/c10-4-1-2-6(12)8-7(4)9(14)5(11)3-13-8/h1-3H,(H,13,14)
InChIKeyNJUGKBVAWMDKIG-UHFFFAOYSA-N
XLogP3.71
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-8-chloro-1H-quinolin-4-one?
The IUPAC name of 3,5-dibromo-8-chloro-1H-quinolin-4-one (CID 114759466) is 3,5-dibromo-8-chloro-1H-quinolin-4-one.
What is the SMILES notation for 3,5-dibromo-8-chloro-1H-quinolin-4-one?
The canonical SMILES for 3,5-dibromo-8-chloro-1H-quinolin-4-one is O=c1c(Br)c[nH]c2c(Cl)ccc(Br)c12.
What is the InChIKey of 3,5-dibromo-8-chloro-1H-quinolin-4-one?
The InChIKey is NJUGKBVAWMDKIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4Br2ClNO/c10-4-1-2-6(12)8-7(4)9(14)5(11)3-13-8/h1-3H,(H,13,14).
What are the key properties of 3,5-dibromo-8-chloro-1H-quinolin-4-one?
3,5-dibromo-8-chloro-1H-quinolin-4-one has a molecular weight of 337.40 g/mol, XLogP of 3.71, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-8-chloro-1H-quinolin-4-one is sourced from PubChem (CID 114759466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).