methyl 4-amino-8-bromo-5-methylquinoline-3-carboxylate

C12H11BrN2O2 — CID 102614908

IUPACmethyl 4-amino-8-bromo-5-methylquinoline-3-carboxylate
SMILESCOC(=O)c1cnc2c(Br)ccc(C)c2c1N
InChIInChI=1S/C12H11BrN2O2/c1-6-3-4-8(13)11-9(6)10(14)7(5-15-11)12(16)17-2/h3-5H,1-2H3,(H2,14,15)
InChIKeyVQANDIRATSSMEK-UHFFFAOYSA-N
MW295.14 g/mol
LogP2.67
Rot. Bonds1

About methyl 4-amino-8-bromo-5-methylquinoline-3-carboxylate

methyl 4-amino-8-bromo-5-methylquinoline-3-carboxylate (PubChem CID 102614908) has the molecular formula C12H11BrN2O2 and a molecular weight of 295.14 g/mol. Its IUPAC name is methyl 4-amino-8-bromo-5-methylquinoline-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-8-bromo-5-methylquinoline-3-carboxylate
PubChem CID102614908
Molecular FormulaC12H11BrN2O2
Molecular Weight295.14 g/mol
Exact Mass294.00
IUPAC Namemethyl 4-amino-8-bromo-5-methylquinoline-3-carboxylate
SMILESCOC(=O)c1cnc2c(Br)ccc(C)c2c1N
InChIInChI=1S/C12H11BrN2O2/c1-6-3-4-8(13)11-9(6)10(14)7(5-15-11)12(16)17-2/h3-5H,1-2H3,(H2,14,15)
InChIKeyVQANDIRATSSMEK-UHFFFAOYSA-N
XLogP2.67
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.14
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4,8-dibromo-5-fluoroquinoline-3-carboxylate
CID 107627760
methyl 8-bromo-4-chloro-5-fluoroquinoline-3-carboxylate
CID 107627758
methyl 4-amino-8-bromo-6-fluoroquinoline-3-carboxylate
CID 102614854
methyl 4-amino-5,6,8-trifluoroquinoline-3-carboxylate
CID 102614880
methyl 2-amino-6-bromo-3-methylbenzoate
CID 60836124
methyl 2-amino-4-bromopyrimidine-5-carboxylate
CID 131422856
methyl 7-bromo-4-methyl-1-benzothiophene-3-carboxylate
CID 155463767
methyl 4-amino-8-ethoxyquinoline-3-carboxylate
CID 102614789
ethyl 4-amino-5,8-dimethoxyquinoline-3-carboxylate
CID 46397829
methyl 8-bromo-4-(methylamino)quinoline-3-carboxylate
CID 102614849
methyl 4-amino-3-methylthieno[3,2-c]pyridine-7-carboxylate
CID 135393998
methyl 6-bromo-5-fluoro-8-methyl-4-(methylamino)quinoline-3-carboxylate
CID 102614924

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-8-bromo-5-methylquinoline-3-carboxylate?
The IUPAC name of methyl 4-amino-8-bromo-5-methylquinoline-3-carboxylate (CID 102614908) is methyl 4-amino-8-bromo-5-methylquinoline-3-carboxylate.
What is the SMILES notation for methyl 4-amino-8-bromo-5-methylquinoline-3-carboxylate?
The canonical SMILES for methyl 4-amino-8-bromo-5-methylquinoline-3-carboxylate is COC(=O)c1cnc2c(Br)ccc(C)c2c1N.
What is the InChIKey of methyl 4-amino-8-bromo-5-methylquinoline-3-carboxylate?
The InChIKey is VQANDIRATSSMEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O2/c1-6-3-4-8(13)11-9(6)10(14)7(5-15-11)12(16)17-2/h3-5H,1-2H3,(H2,14,15).
What are the key properties of methyl 4-amino-8-bromo-5-methylquinoline-3-carboxylate?
methyl 4-amino-8-bromo-5-methylquinoline-3-carboxylate has a molecular weight of 295.14 g/mol, XLogP of 2.67, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-8-bromo-5-methylquinoline-3-carboxylate is sourced from PubChem (CID 102614908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).