methyl 6,8-dibromo-4-(methylamino)quinoline-3-carboxylate

C12H10Br2N2O2 — CID 102614873

IUPACmethyl 6,8-dibromo-4-(methylamino)quinoline-3-carboxylate
SMILESCNc1c(C(=O)OC)cnc2c(Br)cc(Br)cc12
InChIInChI=1S/C12H10Br2N2O2/c1-15-10-7-3-6(13)4-9(14)11(7)16-5-8(10)12(17)18-2/h3-5H,1-2H3,(H,15,16)
InChIKeyQQQKIGDGRZRNCL-UHFFFAOYSA-N
MW374.03 g/mol
LogP3.59
Rot. Bonds2

About methyl 6,8-dibromo-4-(methylamino)quinoline-3-carboxylate

methyl 6,8-dibromo-4-(methylamino)quinoline-3-carboxylate (PubChem CID 102614873) has the molecular formula C12H10Br2N2O2 and a molecular weight of 374.03 g/mol. Its IUPAC name is methyl 6,8-dibromo-4-(methylamino)quinoline-3-carboxylate.

Molecular Properties

Compound Namemethyl 6,8-dibromo-4-(methylamino)quinoline-3-carboxylate
PubChem CID102614873
Molecular FormulaC12H10Br2N2O2
Molecular Weight374.03 g/mol
Exact Mass371.91
IUPAC Namemethyl 6,8-dibromo-4-(methylamino)quinoline-3-carboxylate
SMILESCNc1c(C(=O)OC)cnc2c(Br)cc(Br)cc12
InChIInChI=1S/C12H10Br2N2O2/c1-15-10-7-3-6(13)4-9(14)11(7)16-5-8(10)12(17)18-2/h3-5H,1-2H3,(H,15,16)
InChIKeyQQQKIGDGRZRNCL-UHFFFAOYSA-N
XLogP3.59
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.03
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 8-bromo-4-(methylamino)quinoline-3-carboxylate
CID 102614849
methyl 6-bromo-5-fluoro-8-methyl-4-(methylamino)quinoline-3-carboxylate
CID 102614924
methyl 8-bromo-4-chloro-6-fluoroquinoline-3-carboxylate
CID 102614453
methyl 4-amino-8-bromo-6-fluoroquinoline-3-carboxylate
CID 102614854
methyl 4,7-dibromo-1,5-naphthyridine-3-carboxylate
CID 102941566
methyl 5,8-difluoro-6-methyl-4-(methylamino)quinoline-3-carboxylate
CID 103587309
ethyl 8-methoxy-6-methyl-4-(methylamino)quinoline-3-carboxylate
CID 54773049
methyl 5-chloro-8-fluoro-4-(methylamino)quinoline-3-carboxylate
CID 102614784
ethyl 8-bromo-6-chloro-4-(propylamino)quinoline-3-carboxylate
CID 81256553
methyl 4,8-dibromo-5-fluoroquinoline-3-carboxylate
CID 107627760
methyl 6-butyl-4-(methylamino)quinoline-3-carboxylate
CID 102614811
6,8-dibromo-4-(ethylamino)quinoline-3-carbonitrile
CID 62188170

Frequently Asked Questions

What is the IUPAC name of methyl 6,8-dibromo-4-(methylamino)quinoline-3-carboxylate?
The IUPAC name of methyl 6,8-dibromo-4-(methylamino)quinoline-3-carboxylate (CID 102614873) is methyl 6,8-dibromo-4-(methylamino)quinoline-3-carboxylate.
What is the SMILES notation for methyl 6,8-dibromo-4-(methylamino)quinoline-3-carboxylate?
The canonical SMILES for methyl 6,8-dibromo-4-(methylamino)quinoline-3-carboxylate is CNc1c(C(=O)OC)cnc2c(Br)cc(Br)cc12.
What is the InChIKey of methyl 6,8-dibromo-4-(methylamino)quinoline-3-carboxylate?
The InChIKey is QQQKIGDGRZRNCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Br2N2O2/c1-15-10-7-3-6(13)4-9(14)11(7)16-5-8(10)12(17)18-2/h3-5H,1-2H3,(H,15,16).
What are the key properties of methyl 6,8-dibromo-4-(methylamino)quinoline-3-carboxylate?
methyl 6,8-dibromo-4-(methylamino)quinoline-3-carboxylate has a molecular weight of 374.03 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6,8-dibromo-4-(methylamino)quinoline-3-carboxylate is sourced from PubChem (CID 102614873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).