methyl 6-[[(8-bromoquinolin-2-yl)amino]methyl]-2-cyclopropylpyridine-3-carboxylate

C20H18BrN3O2 — CID 133460234

IUPACmethyl 6-[[(8-bromoquinolin-2-yl)amino]methyl]-2-cyclopropylpyridine-3-carboxylate
SMILESCOC(=O)c1ccc(CNc2ccc3cccc(Br)c3n2)nc1C1CC1
InChIInChI=1S/C20H18BrN3O2/c1-26-20(25)15-9-8-14(23-18(15)13-5-6-13)11-22-17-10-7-12-3-2-4-16(21)19(12)24-17/h2-4,7-10,13H,5-6,11H2,1H3,(H,22,24)
InChIKeyUNCRGUDXPIPBKD-UHFFFAOYSA-N
MW412.29 g/mol
LogP4.67
Rot. Bonds5

About methyl 6-[[(8-bromoquinolin-2-yl)amino]methyl]-2-cyclopropylpyridine-3-carboxylate

methyl 6-[[(8-bromoquinolin-2-yl)amino]methyl]-2-cyclopropylpyridine-3-carboxylate (PubChem CID 133460234) has the molecular formula C20H18BrN3O2 and a molecular weight of 412.29 g/mol. Its IUPAC name is methyl 6-[[(8-bromoquinolin-2-yl)amino]methyl]-2-cyclopropylpyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[[(8-bromoquinolin-2-yl)amino]methyl]-2-cyclopropylpyridine-3-carboxylate
PubChem CID133460234
Molecular FormulaC20H18BrN3O2
Molecular Weight412.29 g/mol
Exact Mass411.06
IUPAC Namemethyl 6-[[(8-bromoquinolin-2-yl)amino]methyl]-2-cyclopropylpyridine-3-carboxylate
SMILESCOC(=O)c1ccc(CNc2ccc3cccc(Br)c3n2)nc1C1CC1
InChIInChI=1S/C20H18BrN3O2/c1-26-20(25)15-9-8-14(23-18(15)13-5-6-13)11-22-17-10-7-12-3-2-4-16(21)19(12)24-17/h2-4,7-10,13H,5-6,11H2,1H3,(H,22,24)
InChIKeyUNCRGUDXPIPBKD-UHFFFAOYSA-N
XLogP4.67
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.29
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 6-[[(8-bromoquinolin-2-yl)amino]methyl]-2-cyclopropylpyridine-3-carboxylate with MolForge

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Related Compounds

methyl 2-cyclopropyl-6-[[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]methyl]pyridine-3-carboxylate
CID 133460162
methyl 2-cyclopropyl-6-[[(8-methylquinazolin-4-yl)amino]methyl]pyridine-3-carboxylate
CID 133460115
methyl 6-[(2-cyano-3-fluoroanilino)methyl]-2-cyclopropylpyridine-3-carboxylate
CID 133460298
methyl 2-cyclopropyl-6-[(2-methyl-6-nitroanilino)methyl]pyridine-3-carboxylate
CID 133460163
methyl 6-[(cyclohexanecarbonylamino)methyl]-2-cyclopropylpyridine-3-carboxylate
CID 75475369
methyl 2-cyclopropyl-6-[[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]methyl]pyridine-3-carboxylate
CID 133460200
methyl 6-[[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]methyl]-2-cyclopropylpyridine-3-carboxylate
CID 133460213
methyl 6-[[(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)amino]methyl]-2-cyclopropylpyridine-3-carboxylate
CID 133460208
2-[(8-bromoquinolin-2-yl)amino]-N-cyclopropylacetamide
CID 71913827
methyl 6-[(4-chloro-2-nitroanilino)methyl]-2-cyclopropylpyridine-3-carboxylate
CID 133460127
methyl 6-[[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]amino]methyl]-2-cyclopropylpyridine-3-carboxylate
CID 133460205
methyl 2-cyclopropyl-6-[[(6-fluoro-2-methylquinolin-4-yl)amino]methyl]pyridine-3-carboxylate
CID 133460116

Frequently Asked Questions

What is the IUPAC name of methyl 6-[[(8-bromoquinolin-2-yl)amino]methyl]-2-cyclopropylpyridine-3-carboxylate?
The IUPAC name of methyl 6-[[(8-bromoquinolin-2-yl)amino]methyl]-2-cyclopropylpyridine-3-carboxylate (CID 133460234) is methyl 6-[[(8-bromoquinolin-2-yl)amino]methyl]-2-cyclopropylpyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[[(8-bromoquinolin-2-yl)amino]methyl]-2-cyclopropylpyridine-3-carboxylate?
The canonical SMILES for methyl 6-[[(8-bromoquinolin-2-yl)amino]methyl]-2-cyclopropylpyridine-3-carboxylate is COC(=O)c1ccc(CNc2ccc3cccc(Br)c3n2)nc1C1CC1.
What is the InChIKey of methyl 6-[[(8-bromoquinolin-2-yl)amino]methyl]-2-cyclopropylpyridine-3-carboxylate?
The InChIKey is UNCRGUDXPIPBKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrN3O2/c1-26-20(25)15-9-8-14(23-18(15)13-5-6-13)11-22-17-10-7-12-3-2-4-16(21)19(12)24-17/h2-4,7-10,13H,5-6,11H2,1H3,(H,22,24).
What are the key properties of methyl 6-[[(8-bromoquinolin-2-yl)amino]methyl]-2-cyclopropylpyridine-3-carboxylate?
methyl 6-[[(8-bromoquinolin-2-yl)amino]methyl]-2-cyclopropylpyridine-3-carboxylate has a molecular weight of 412.29 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[(8-bromoquinolin-2-yl)amino]methyl]-2-cyclopropylpyridine-3-carboxylate is sourced from PubChem (CID 133460234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).