3-(2-bromoacetyl)-7-methoxy-1H-quinolin-2-one

C12H10BrNO3 — CID 22638606

IUPAC3-(2-bromoacetyl)-7-methoxy-1H-quinolin-2-one
SMILESCOc1ccc2cc(C(=O)CBr)c(=O)[nH]c2c1
InChIInChI=1S/C12H10BrNO3/c1-17-8-3-2-7-4-9(11(15)6-13)12(16)14-10(7)5-8/h2-5H,6H2,1H3,(H,14,16)
InChIKeySROUDTOTQANPPY-UHFFFAOYSA-N
MW296.12 g/mol
LogP2.11
Rot. Bonds3

About 3-(2-bromoacetyl)-7-methoxy-1H-quinolin-2-one

3-(2-bromoacetyl)-7-methoxy-1H-quinolin-2-one (PubChem CID 22638606) has the molecular formula C12H10BrNO3 and a molecular weight of 296.12 g/mol. Its IUPAC name is 3-(2-bromoacetyl)-7-methoxy-1H-quinolin-2-one.

Molecular Properties

Compound Name3-(2-bromoacetyl)-7-methoxy-1H-quinolin-2-one
PubChem CID22638606
Molecular FormulaC12H10BrNO3
Molecular Weight296.12 g/mol
Exact Mass294.98
IUPAC Name3-(2-bromoacetyl)-7-methoxy-1H-quinolin-2-one
SMILESCOc1ccc2cc(C(=O)CBr)c(=O)[nH]c2c1
InChIInChI=1S/C12H10BrNO3/c1-17-8-3-2-7-4-9(11(15)6-13)12(16)14-10(7)5-8/h2-5H,6H2,1H3,(H,14,16)
InChIKeySROUDTOTQANPPY-UHFFFAOYSA-N
XLogP2.11
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.12
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

7-chloro-3-[2-(4-methoxyphenyl)acetyl]-1H-quinolin-2-one
CID 12002170
2-(2-bromoacetyl)-5-methoxybenzonitrile
CID 130066531
(Z)-1-(7-chloro-2-oxo-1H-quinolin-3-yl)-5-(4-methoxyphenyl)pent-4-ene-1,3-dione
CID 67007967
2-chloro-N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]acetamide
CID 7136774
N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-2-(4-methoxyphenyl)acetamide
CID 4258688
7-[2-(4-methoxyphenyl)-2-oxoethoxy]-1H-quinolin-2-one
CID 15831364
N-ethyl-3-methoxy-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1427703
3-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1,1-dimethylurea
CID 110324804
N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-(4-methoxyphenyl)-N-propan-2-ylacetamide
CID 3430411
N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-methoxyphenyl)acetamide
CID 5036839
N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 110609180
(6-methoxy-1H-indol-2-yl)methanol
CID 10845030

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromoacetyl)-7-methoxy-1H-quinolin-2-one?
The IUPAC name of 3-(2-bromoacetyl)-7-methoxy-1H-quinolin-2-one (CID 22638606) is 3-(2-bromoacetyl)-7-methoxy-1H-quinolin-2-one.
What is the SMILES notation for 3-(2-bromoacetyl)-7-methoxy-1H-quinolin-2-one?
The canonical SMILES for 3-(2-bromoacetyl)-7-methoxy-1H-quinolin-2-one is COc1ccc2cc(C(=O)CBr)c(=O)[nH]c2c1.
What is the InChIKey of 3-(2-bromoacetyl)-7-methoxy-1H-quinolin-2-one?
The InChIKey is SROUDTOTQANPPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrNO3/c1-17-8-3-2-7-4-9(11(15)6-13)12(16)14-10(7)5-8/h2-5H,6H2,1H3,(H,14,16).
What are the key properties of 3-(2-bromoacetyl)-7-methoxy-1H-quinolin-2-one?
3-(2-bromoacetyl)-7-methoxy-1H-quinolin-2-one has a molecular weight of 296.12 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromoacetyl)-7-methoxy-1H-quinolin-2-one is sourced from PubChem (CID 22638606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).