3-bromo-6-methoxyquinoline-2-carboxamide

C11H9BrN2O2 — CID 173087075

IUPAC3-bromo-6-methoxyquinoline-2-carboxamide
SMILESCOc1ccc2nc(C(N)=O)c(Br)cc2c1
InChIInChI=1S/C11H9BrN2O2/c1-16-7-2-3-9-6(4-7)5-8(12)10(14-9)11(13)15/h2-5H,1H3,(H2,13,15)
InChIKeyKEIOAJUOYWOVKR-UHFFFAOYSA-N
MW281.11 g/mol
LogP2.10
Rot. Bonds2

About 3-bromo-6-methoxyquinoline-2-carboxamide

3-bromo-6-methoxyquinoline-2-carboxamide (PubChem CID 173087075) has the molecular formula C11H9BrN2O2 and a molecular weight of 281.11 g/mol. Its IUPAC name is 3-bromo-6-methoxyquinoline-2-carboxamide.

Molecular Properties

Compound Name3-bromo-6-methoxyquinoline-2-carboxamide
PubChem CID173087075
Molecular FormulaC11H9BrN2O2
Molecular Weight281.11 g/mol
Exact Mass279.98
IUPAC Name3-bromo-6-methoxyquinoline-2-carboxamide
SMILESCOc1ccc2nc(C(N)=O)c(Br)cc2c1
InChIInChI=1S/C11H9BrN2O2/c1-16-7-2-3-9-6(4-7)5-8(12)10(14-9)11(13)15/h2-5H,1H3,(H2,13,15)
InChIKeyKEIOAJUOYWOVKR-UHFFFAOYSA-N
XLogP2.10
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.11
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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(E)-3-(2,6-dimethoxyquinolin-3-yl)prop-2-enamide
CID 170878117
3-(6-methoxyquinolin-2-yl)prop-2-enamide
CID 175848652
6-methoxy-1,3-benzothiazole-2-carboxamide
CID 539282
4-amino-7-methoxycinnoline-3-carboxamide
CID 13169389
1-(6-methoxy-3-phenylmethoxyquinolin-2-yl)ethanone
CID 19692233
3-bromo-7-methoxyquinolin-2-amine
CID 126637777
4-[4-(6-methoxy-3-methylquinolin-2-yl)piperazin-1-yl]benzamide
CID 75442529
5-amino-6-(2-bromo-4-methoxyphenoxy)pyridine-2-carboxamide
CID 114409213
ethyl (E)-3-(2-bromo-5-methoxyphenyl)prop-2-enoate
CID 86584745
6-methoxy-2-methylquinazoline
CID 54578216
2-amino-5-methoxybenzamide;ethane
CID 142071126

Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-methoxyquinoline-2-carboxamide?
The IUPAC name of 3-bromo-6-methoxyquinoline-2-carboxamide (CID 173087075) is 3-bromo-6-methoxyquinoline-2-carboxamide.
What is the SMILES notation for 3-bromo-6-methoxyquinoline-2-carboxamide?
The canonical SMILES for 3-bromo-6-methoxyquinoline-2-carboxamide is COc1ccc2nc(C(N)=O)c(Br)cc2c1.
What is the InChIKey of 3-bromo-6-methoxyquinoline-2-carboxamide?
The InChIKey is KEIOAJUOYWOVKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2O2/c1-16-7-2-3-9-6(4-7)5-8(12)10(14-9)11(13)15/h2-5H,1H3,(H2,13,15).
What are the key properties of 3-bromo-6-methoxyquinoline-2-carboxamide?
3-bromo-6-methoxyquinoline-2-carboxamide has a molecular weight of 281.11 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-methoxyquinoline-2-carboxamide is sourced from PubChem (CID 173087075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).