6-[bromo(methoxy)methyl]quinoline-3-carboxamide

C12H11BrN2O2 — CID 123700611

IUPAC6-[bromo(methoxy)methyl]quinoline-3-carboxamide
SMILESCOC(Br)c1ccc2ncc(C(N)=O)cc2c1
InChIInChI=1S/C12H11BrN2O2/c1-17-11(13)7-2-3-10-8(4-7)5-9(6-15-10)12(14)16/h2-6,11H,1H3,(H2,14,16)
InChIKeyPUCVABCDBXZROY-UHFFFAOYSA-N
MW295.14 g/mol
LogP2.37
Rot. Bonds3

About 6-[bromo(methoxy)methyl]quinoline-3-carboxamide

6-[bromo(methoxy)methyl]quinoline-3-carboxamide (PubChem CID 123700611) has the molecular formula C12H11BrN2O2 and a molecular weight of 295.14 g/mol. Its IUPAC name is 6-[bromo(methoxy)methyl]quinoline-3-carboxamide.

Molecular Properties

Compound Name6-[bromo(methoxy)methyl]quinoline-3-carboxamide
PubChem CID123700611
Molecular FormulaC12H11BrN2O2
Molecular Weight295.14 g/mol
Exact Mass294.00
IUPAC Name6-[bromo(methoxy)methyl]quinoline-3-carboxamide
SMILESCOC(Br)c1ccc2ncc(C(N)=O)cc2c1
InChIInChI=1S/C12H11BrN2O2/c1-17-11(13)7-2-3-10-8(4-7)5-9(6-15-10)12(14)16/h2-6,11H,1H3,(H2,14,16)
InChIKeyPUCVABCDBXZROY-UHFFFAOYSA-N
XLogP2.37
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.14
LogP ≤ 52.37
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

6-[bromo(methoxy)methyl]naphthalene-2-carboxamide
CID 91429905
3-[bromo(methoxy)methyl]benzamide
CID 57281068
6-propan-2-ylquinoline-3-carboxylic acid
CID 82113674
quinoline-3-carboxamide;hydrofluoride
CID 174911514
methyl 6-sulfanylquinoline-3-carboxylate
CID 134532830
6-cyclohexyloxyquinoline-3-carboxamide
CID 125492658
methyl 3-methyl-2-(3-methylquinolin-6-yl)butanoate
CID 116997841
1,7-naphthyridine-3,6-dicarboxamide
CID 90953080
2-methylquinoxaline-6-carboxamide
CID 89421881
7-fluoroquinoline-3-carboxamide
CID 54200639
5-[bromo(methoxy)methyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 91119089
6-chloro-7-(difluoromethoxy)quinoline-3-carboxamide;ethane
CID 145333231

Frequently Asked Questions

What is the IUPAC name of 6-[bromo(methoxy)methyl]quinoline-3-carboxamide?
The IUPAC name of 6-[bromo(methoxy)methyl]quinoline-3-carboxamide (CID 123700611) is 6-[bromo(methoxy)methyl]quinoline-3-carboxamide.
What is the SMILES notation for 6-[bromo(methoxy)methyl]quinoline-3-carboxamide?
The canonical SMILES for 6-[bromo(methoxy)methyl]quinoline-3-carboxamide is COC(Br)c1ccc2ncc(C(N)=O)cc2c1.
What is the InChIKey of 6-[bromo(methoxy)methyl]quinoline-3-carboxamide?
The InChIKey is PUCVABCDBXZROY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O2/c1-17-11(13)7-2-3-10-8(4-7)5-9(6-15-10)12(14)16/h2-6,11H,1H3,(H2,14,16).
What are the key properties of 6-[bromo(methoxy)methyl]quinoline-3-carboxamide?
6-[bromo(methoxy)methyl]quinoline-3-carboxamide has a molecular weight of 295.14 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[bromo(methoxy)methyl]quinoline-3-carboxamide is sourced from PubChem (CID 123700611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).