4-(bromomethyl)-6-ethoxy-1H-quinolin-2-one

C12H12BrNO2 — CID 83665775

IUPAC4-(bromomethyl)-6-ethoxy-1H-quinolin-2-one
SMILESCCOc1ccc2[nH]c(=O)cc(CBr)c2c1
InChIInChI=1S/C12H12BrNO2/c1-2-16-9-3-4-11-10(6-9)8(7-13)5-12(15)14-11/h3-6H,2,7H2,1H3,(H,14,15)
InChIKeySMQOUPHLFAZCRS-UHFFFAOYSA-N
MW282.14 g/mol
LogP2.82
Rot. Bonds3

About 4-(bromomethyl)-6-ethoxy-1H-quinolin-2-one

4-(bromomethyl)-6-ethoxy-1H-quinolin-2-one (PubChem CID 83665775) has the molecular formula C12H12BrNO2 and a molecular weight of 282.14 g/mol. Its IUPAC name is 4-(bromomethyl)-6-ethoxy-1H-quinolin-2-one.

Molecular Properties

Compound Name4-(bromomethyl)-6-ethoxy-1H-quinolin-2-one
PubChem CID83665775
Molecular FormulaC12H12BrNO2
Molecular Weight282.14 g/mol
Exact Mass281.01
IUPAC Name4-(bromomethyl)-6-ethoxy-1H-quinolin-2-one
SMILESCCOc1ccc2[nH]c(=O)cc(CBr)c2c1
InChIInChI=1S/C12H12BrNO2/c1-2-16-9-3-4-11-10(6-9)8(7-13)5-12(15)14-11/h3-6H,2,7H2,1H3,(H,14,15)
InChIKeySMQOUPHLFAZCRS-UHFFFAOYSA-N
XLogP2.82
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.14
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,7-diethoxy-10H-acridin-9-one
CID 163923657
7-ethoxy-4-methyl-1H-quinolin-2-one
CID 121226556
6-ethoxy-2-ethyl-1H-quinolin-4-one
CID 43668050
4-(aminomethyl)-6-methoxy-1H-quinolin-2-one
CID 82506632
7-ethoxy-3,4-dihydro-2H-cyclopenta[b]indol-1-one
CID 107958537
7-ethoxy-1H-quinolin-2-one
CID 123474288
1-(5-ethoxy-2-methyl-1H-indol-3-yl)-2-methylpropan-1-one
CID 82279192
6-ethoxy-2-methyl-4-oxo-1H-quinoline-3-carbaldehyde
CID 12594754
4-methyl-6-(4-sulfonylbutoxy)-1H-quinolin-2-one
CID 88752570
ethyl 5-ethoxy-3-methyl-1H-indole-2-carboxylate
CID 4777692
3-(bromomethyl)-6-(3-ethoxyphenyl)-1H-pyridin-2-one
CID 82518417
4-(aminomethyl)-1H-quinolin-2-one;azane;4-(bromomethyl)-1H-quinolin-2-one
CID 159957961

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-6-ethoxy-1H-quinolin-2-one?
The IUPAC name of 4-(bromomethyl)-6-ethoxy-1H-quinolin-2-one (CID 83665775) is 4-(bromomethyl)-6-ethoxy-1H-quinolin-2-one.
What is the SMILES notation for 4-(bromomethyl)-6-ethoxy-1H-quinolin-2-one?
The canonical SMILES for 4-(bromomethyl)-6-ethoxy-1H-quinolin-2-one is CCOc1ccc2[nH]c(=O)cc(CBr)c2c1.
What is the InChIKey of 4-(bromomethyl)-6-ethoxy-1H-quinolin-2-one?
The InChIKey is SMQOUPHLFAZCRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNO2/c1-2-16-9-3-4-11-10(6-9)8(7-13)5-12(15)14-11/h3-6H,2,7H2,1H3,(H,14,15).
What are the key properties of 4-(bromomethyl)-6-ethoxy-1H-quinolin-2-one?
4-(bromomethyl)-6-ethoxy-1H-quinolin-2-one has a molecular weight of 282.14 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-6-ethoxy-1H-quinolin-2-one is sourced from PubChem (CID 83665775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).