3-bromo-6-methoxy-2-methyl-3H-quinolin-4-one

C11H10BrNO2 — CID 78209397

IUPAC3-bromo-6-methoxy-2-methyl-3H-quinolin-4-one
SMILESCOc1ccc2c(c1)C(=O)C(Br)C(C)=N2
InChIInChI=1S/C11H10BrNO2/c1-6-10(12)11(14)8-5-7(15-2)3-4-9(8)13-6/h3-5,10H,1-2H3
InChIKeyUUGVZCSMXZQMOJ-UHFFFAOYSA-N
MW268.11 g/mol
LogP2.75
Rot. Bonds1

About 3-bromo-6-methoxy-2-methyl-3H-quinolin-4-one

3-bromo-6-methoxy-2-methyl-3H-quinolin-4-one (PubChem CID 78209397) has the molecular formula C11H10BrNO2 and a molecular weight of 268.11 g/mol. Its IUPAC name is 3-bromo-6-methoxy-2-methyl-3H-quinolin-4-one.

Molecular Properties

Compound Name3-bromo-6-methoxy-2-methyl-3H-quinolin-4-one
PubChem CID78209397
Molecular FormulaC11H10BrNO2
Molecular Weight268.11 g/mol
Exact Mass266.99
IUPAC Name3-bromo-6-methoxy-2-methyl-3H-quinolin-4-one
SMILESCOc1ccc2c(c1)C(=O)C(Br)C(C)=N2
InChIInChI=1S/C11H10BrNO2/c1-6-10(12)11(14)8-5-7(15-2)3-4-9(8)13-6/h3-5,10H,1-2H3
InChIKeyUUGVZCSMXZQMOJ-UHFFFAOYSA-N
XLogP2.75
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.11
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-methoxy-2-methyl-3-methylideneindole
CID 86172282
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CID 142042222
2-(4-methoxyphenyl)-5-methylindol-3-one
CID 163409631
2-hydroxy-5-methoxyindene-1,3-dione
CID 139638113
3-bromo-6-methoxy-2,3-dihydroinden-1-one
CID 23250652
2-chloro-5-methoxy-1-benzofuran-3-one
CID 46187269
2-(3-hydroxy-5-methoxy-1H-indol-2-yl)-5-methoxyindol-3-one
CID 135404314
(2S,3S)-3-amino-2-hydroxy-5-methoxy-2,3-dihydroinden-1-one
CID 131859476
7-methoxy-2-(4-methoxyphenyl)-5-(4-methylphenyl)-3H-1,3,4-benzotriazepine
CID 135471828
6-methoxy-2,3-dimethylinden-1-one
CID 71441575
2,3-dibromo-6-methoxyinden-1-one
CID 170703221
2-(4-bromophenyl)-7-methoxy-5-(4-methoxyphenyl)-3H-1,3,4-benzotriazepine
CID 135425591

Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-methoxy-2-methyl-3H-quinolin-4-one?
The IUPAC name of 3-bromo-6-methoxy-2-methyl-3H-quinolin-4-one (CID 78209397) is 3-bromo-6-methoxy-2-methyl-3H-quinolin-4-one.
What is the SMILES notation for 3-bromo-6-methoxy-2-methyl-3H-quinolin-4-one?
The canonical SMILES for 3-bromo-6-methoxy-2-methyl-3H-quinolin-4-one is COc1ccc2c(c1)C(=O)C(Br)C(C)=N2.
What is the InChIKey of 3-bromo-6-methoxy-2-methyl-3H-quinolin-4-one?
The InChIKey is UUGVZCSMXZQMOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNO2/c1-6-10(12)11(14)8-5-7(15-2)3-4-9(8)13-6/h3-5,10H,1-2H3.
What are the key properties of 3-bromo-6-methoxy-2-methyl-3H-quinolin-4-one?
3-bromo-6-methoxy-2-methyl-3H-quinolin-4-one has a molecular weight of 268.11 g/mol, XLogP of 2.75, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-methoxy-2-methyl-3H-quinolin-4-one is sourced from PubChem (CID 78209397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).