8-bromo-6-chloro-3-(methoxymethyl)-1H-quinolin-2-one

C11H9BrClNO2 — CID 165134194

IUPAC8-bromo-6-chloro-3-(methoxymethyl)-1H-quinolin-2-one
SMILESCOCc1cc2cc(Cl)cc(Br)c2[nH]c1=O
InChIInChI=1S/C11H9BrClNO2/c1-16-5-7-2-6-3-8(13)4-9(12)10(6)14-11(7)15/h2-4H,5H2,1H3,(H,14,15)
InChIKeyRQDLODTZQUAJGI-UHFFFAOYSA-N
MW302.56 g/mol
LogP3.09
Rot. Bonds2

About 8-bromo-6-chloro-3-(methoxymethyl)-1H-quinolin-2-one

8-bromo-6-chloro-3-(methoxymethyl)-1H-quinolin-2-one (PubChem CID 165134194) has the molecular formula C11H9BrClNO2 and a molecular weight of 302.56 g/mol. Its IUPAC name is 8-bromo-6-chloro-3-(methoxymethyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name8-bromo-6-chloro-3-(methoxymethyl)-1H-quinolin-2-one
PubChem CID165134194
Molecular FormulaC11H9BrClNO2
Molecular Weight302.56 g/mol
Exact Mass300.95
IUPAC Name8-bromo-6-chloro-3-(methoxymethyl)-1H-quinolin-2-one
SMILESCOCc1cc2cc(Cl)cc(Br)c2[nH]c1=O
InChIInChI=1S/C11H9BrClNO2/c1-16-5-7-2-6-3-8(13)4-9(12)10(6)14-11(7)15/h2-4H,5H2,1H3,(H,14,15)
InChIKeyRQDLODTZQUAJGI-UHFFFAOYSA-N
XLogP3.09
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.56
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-6-chloro-3-(methoxymethyl)-1H-quinolin-2-one?
The IUPAC name of 8-bromo-6-chloro-3-(methoxymethyl)-1H-quinolin-2-one (CID 165134194) is 8-bromo-6-chloro-3-(methoxymethyl)-1H-quinolin-2-one.
What is the SMILES notation for 8-bromo-6-chloro-3-(methoxymethyl)-1H-quinolin-2-one?
The canonical SMILES for 8-bromo-6-chloro-3-(methoxymethyl)-1H-quinolin-2-one is COCc1cc2cc(Cl)cc(Br)c2[nH]c1=O.
What is the InChIKey of 8-bromo-6-chloro-3-(methoxymethyl)-1H-quinolin-2-one?
The InChIKey is RQDLODTZQUAJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrClNO2/c1-16-5-7-2-6-3-8(13)4-9(12)10(6)14-11(7)15/h2-4H,5H2,1H3,(H,14,15).
What are the key properties of 8-bromo-6-chloro-3-(methoxymethyl)-1H-quinolin-2-one?
8-bromo-6-chloro-3-(methoxymethyl)-1H-quinolin-2-one has a molecular weight of 302.56 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-6-chloro-3-(methoxymethyl)-1H-quinolin-2-one is sourced from PubChem (CID 165134194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).