methyl 6-bromo-4-[2-hydroxyethyl(methyl)amino]quinoline-2-carboxylate

C14H15BrN2O3 — CID 133381470

IUPACmethyl 6-bromo-4-[2-hydroxyethyl(methyl)amino]quinoline-2-carboxylate
SMILESCOC(=O)c1cc(N(C)CCO)c2cc(Br)ccc2n1
InChIInChI=1S/C14H15BrN2O3/c1-17(5-6-18)13-8-12(14(19)20-2)16-11-4-3-9(15)7-10(11)13/h3-4,7-8,18H,5-6H2,1-2H3
InChIKeyKIYQUOKJNWALLO-UHFFFAOYSA-N
MW339.19 g/mol
LogP2.21
Rot. Bonds4

About methyl 6-bromo-4-[2-hydroxyethyl(methyl)amino]quinoline-2-carboxylate

methyl 6-bromo-4-[2-hydroxyethyl(methyl)amino]quinoline-2-carboxylate (PubChem CID 133381470) has the molecular formula C14H15BrN2O3 and a molecular weight of 339.19 g/mol. Its IUPAC name is methyl 6-bromo-4-[2-hydroxyethyl(methyl)amino]quinoline-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-bromo-4-[2-hydroxyethyl(methyl)amino]quinoline-2-carboxylate
PubChem CID133381470
Molecular FormulaC14H15BrN2O3
Molecular Weight339.19 g/mol
Exact Mass338.03
IUPAC Namemethyl 6-bromo-4-[2-hydroxyethyl(methyl)amino]quinoline-2-carboxylate
SMILESCOC(=O)c1cc(N(C)CCO)c2cc(Br)ccc2n1
InChIInChI=1S/C14H15BrN2O3/c1-17(5-6-18)13-8-12(14(19)20-2)16-11-4-3-9(15)7-10(11)13/h3-4,7-8,18H,5-6H2,1-2H3
InChIKeyKIYQUOKJNWALLO-UHFFFAOYSA-N
XLogP2.21
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.19
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 6-bromo-4-[methyl(pyrazin-2-ylmethyl)amino]quinoline-2-carboxylate
CID 133433919
methyl 6-bromo-4-phenylmethoxyquinoline-2-carboxylate
CID 121351499
methyl 6-bromo-4-pyridin-2-ylquinoline-2-carboxylate
CID 141467629
methyl 6-bromo-4-[[3-(hydroxymethyl)oxetan-3-yl]methylamino]quinoline-2-carboxylate
CID 133399159
dimethyl 7-bromoquinoline-2,4-dicarboxylate
CID 67245888
methyl 6-bromo-4-[(1-methylpiperidin-4-yl)amino]quinoline-2-carboxylate
CID 133383309
methyl 6-bromo-4-[2-[(6-fluoro-2-pyridinyl)amino]ethylamino]quinoline-2-carboxylate
CID 166382391
methyl 6-bromo-4-[(3-methoxycyclohexyl)amino]quinoline-2-carboxylate
CID 133399422
methyl 6-bromo-4-(1,4-dioxan-2-yl)quinoline-2-carboxylate
CID 165390431
methyl 6-bromoquinoline-2-carboxylate;methyl pyridine-3-carboxylate
CID 175951139
methyl 6-bromo-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]quinoline-2-carboxylate
CID 133317795
methyl 4-(4-bromoanilino)quinoline-2-carboxylate
CID 45499074

Frequently Asked Questions

What is the IUPAC name of methyl 6-bromo-4-[2-hydroxyethyl(methyl)amino]quinoline-2-carboxylate?
The IUPAC name of methyl 6-bromo-4-[2-hydroxyethyl(methyl)amino]quinoline-2-carboxylate (CID 133381470) is methyl 6-bromo-4-[2-hydroxyethyl(methyl)amino]quinoline-2-carboxylate.
What is the SMILES notation for methyl 6-bromo-4-[2-hydroxyethyl(methyl)amino]quinoline-2-carboxylate?
The canonical SMILES for methyl 6-bromo-4-[2-hydroxyethyl(methyl)amino]quinoline-2-carboxylate is COC(=O)c1cc(N(C)CCO)c2cc(Br)ccc2n1.
What is the InChIKey of methyl 6-bromo-4-[2-hydroxyethyl(methyl)amino]quinoline-2-carboxylate?
The InChIKey is KIYQUOKJNWALLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O3/c1-17(5-6-18)13-8-12(14(19)20-2)16-11-4-3-9(15)7-10(11)13/h3-4,7-8,18H,5-6H2,1-2H3.
What are the key properties of methyl 6-bromo-4-[2-hydroxyethyl(methyl)amino]quinoline-2-carboxylate?
methyl 6-bromo-4-[2-hydroxyethyl(methyl)amino]quinoline-2-carboxylate has a molecular weight of 339.19 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-bromo-4-[2-hydroxyethyl(methyl)amino]quinoline-2-carboxylate is sourced from PubChem (CID 133381470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).