methyl 8-bromo-4-(methylamino)quinoline-3-carboxylate

C12H11BrN2O2 — CID 102614849

IUPACmethyl 8-bromo-4-(methylamino)quinoline-3-carboxylate
SMILESCNc1c(C(=O)OC)cnc2c(Br)cccc12
InChIInChI=1S/C12H11BrN2O2/c1-14-10-7-4-3-5-9(13)11(7)15-6-8(10)12(16)17-2/h3-6H,1-2H3,(H,14,15)
InChIKeyKCPBHWFBMWEVGY-UHFFFAOYSA-N
MW295.14 g/mol
LogP2.83
Rot. Bonds2

About methyl 8-bromo-4-(methylamino)quinoline-3-carboxylate

methyl 8-bromo-4-(methylamino)quinoline-3-carboxylate (PubChem CID 102614849) has the molecular formula C12H11BrN2O2 and a molecular weight of 295.14 g/mol. Its IUPAC name is methyl 8-bromo-4-(methylamino)quinoline-3-carboxylate.

Molecular Properties

Compound Namemethyl 8-bromo-4-(methylamino)quinoline-3-carboxylate
PubChem CID102614849
Molecular FormulaC12H11BrN2O2
Molecular Weight295.14 g/mol
Exact Mass294.00
IUPAC Namemethyl 8-bromo-4-(methylamino)quinoline-3-carboxylate
SMILESCNc1c(C(=O)OC)cnc2c(Br)cccc12
InChIInChI=1S/C12H11BrN2O2/c1-14-10-7-4-3-5-9(13)11(7)15-6-8(10)12(16)17-2/h3-6H,1-2H3,(H,14,15)
InChIKeyKCPBHWFBMWEVGY-UHFFFAOYSA-N
XLogP2.83
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.14
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 6,8-dibromo-4-(methylamino)quinoline-3-carboxylate
CID 102614873
ethyl 8-bromo-4-[(4-methoxyphenyl)methylamino]quinoline-3-carboxylate
CID 86692233
methyl 4,8-dichloroquinoline-3-carboxylate
CID 112703942
ethyl 8-cyano-4-(methylamino)quinoline-3-carboxylate
CID 53264523
methyl 6-bromo-5-fluoro-8-methyl-4-(methylamino)quinoline-3-carboxylate
CID 102614924
methyl 5-chloro-8-fluoro-4-(methylamino)quinoline-3-carboxylate
CID 102614784
methyl 4-bromo-8-(difluoromethoxy)quinoline-3-carboxylate
CID 102614445
methyl 8-bromo-2-(trifluoromethyl)quinoline-4-carboxylate
CID 10892971
methyl 4-amino-8-ethoxyquinoline-3-carboxylate
CID 102614789
methyl 8-bromo-4-chloroquinoline-2-carboxylate
CID 46739191
methyl 4,8-dibromo-5-fluoroquinoline-3-carboxylate
CID 107627760
methyl 4-amino-8-bromo-5-methylquinoline-3-carboxylate
CID 102614908

Frequently Asked Questions

What is the IUPAC name of methyl 8-bromo-4-(methylamino)quinoline-3-carboxylate?
The IUPAC name of methyl 8-bromo-4-(methylamino)quinoline-3-carboxylate (CID 102614849) is methyl 8-bromo-4-(methylamino)quinoline-3-carboxylate.
What is the SMILES notation for methyl 8-bromo-4-(methylamino)quinoline-3-carboxylate?
The canonical SMILES for methyl 8-bromo-4-(methylamino)quinoline-3-carboxylate is CNc1c(C(=O)OC)cnc2c(Br)cccc12.
What is the InChIKey of methyl 8-bromo-4-(methylamino)quinoline-3-carboxylate?
The InChIKey is KCPBHWFBMWEVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O2/c1-14-10-7-4-3-5-9(13)11(7)15-6-8(10)12(16)17-2/h3-6H,1-2H3,(H,14,15).
What are the key properties of methyl 8-bromo-4-(methylamino)quinoline-3-carboxylate?
methyl 8-bromo-4-(methylamino)quinoline-3-carboxylate has a molecular weight of 295.14 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-bromo-4-(methylamino)quinoline-3-carboxylate is sourced from PubChem (CID 102614849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).