ethyl 8-bromo-4-(4-methylpiperidin-1-yl)quinoline-3-carboxylate

C18H21BrN2O2 — CID 163201437

IUPACethyl 8-bromo-4-(4-methylpiperidin-1-yl)quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(Br)cccc2c1N1CCC(C)CC1
InChIInChI=1S/C18H21BrN2O2/c1-3-23-18(22)14-11-20-16-13(5-4-6-15(16)19)17(14)21-9-7-12(2)8-10-21/h4-6,11-12H,3,7-10H2,1-2H3
InChIKeyFYFBCBAKEDSCMP-UHFFFAOYSA-N
MW377.28 g/mol
LogP4.41
Rot. Bonds3

About ethyl 8-bromo-4-(4-methylpiperidin-1-yl)quinoline-3-carboxylate

ethyl 8-bromo-4-(4-methylpiperidin-1-yl)quinoline-3-carboxylate (PubChem CID 163201437) has the molecular formula C18H21BrN2O2 and a molecular weight of 377.28 g/mol. Its IUPAC name is ethyl 8-bromo-4-(4-methylpiperidin-1-yl)quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 8-bromo-4-(4-methylpiperidin-1-yl)quinoline-3-carboxylate
PubChem CID163201437
Molecular FormulaC18H21BrN2O2
Molecular Weight377.28 g/mol
Exact Mass376.08
IUPAC Nameethyl 8-bromo-4-(4-methylpiperidin-1-yl)quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(Br)cccc2c1N1CCC(C)CC1
InChIInChI=1S/C18H21BrN2O2/c1-3-23-18(22)14-11-20-16-13(5-4-6-15(16)19)17(14)21-9-7-12(2)8-10-21/h4-6,11-12H,3,7-10H2,1-2H3
InChIKeyFYFBCBAKEDSCMP-UHFFFAOYSA-N
XLogP4.41
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.28
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 6,8-dimethyl-4-(4-methylpiperidin-1-yl)quinoline-3-carboxylate
CID 135272181
1-(3-ethoxycarbonylquinolin-4-yl)piperidine-4-carboxylic acid
CID 122047501
ethyl 4-(4-methylpiperazin-1-yl)-8-(trifluoromethyl)quinoline-3-carboxylate
CID 1191908
ethyl 8-bromo-4-[methyl(oxetan-3-yl)amino]quinoline-3-carboxylate
CID 134511540
ethyl 4-[4-(2-ethoxyphenyl)piperazin-1-yl]-8-methoxyquinoline-3-carboxylate
CID 162649213
3-O-ethyl 8-O-methyl 4-[4-(4-methylpiperidin-1-yl)anilino]quinoline-3,8-dicarboxylate
CID 23904512
ethyl 8-methoxy-4-[4-(2-methylphenyl)piperazin-1-yl]quinoline-3-carboxylate
CID 162647102
ethyl 4-(4-benzylpiperazin-1-yl)-8-chloroquinoline-3-carboxylate
CID 43840467
1-(3-ethoxycarbonyl-6,8-dimethylquinolin-4-yl)piperidine-4-carboxylic acid
CID 122047467
ethyl 4-piperazin-1-ylquinoline-3-carboxylate
CID 13295826
ethyl 4-thiomorpholin-4-ylquinoline-3-carboxylate
CID 52805665
1-(3-ethoxycarbonyl-6-fluoro-8-methylquinolin-4-yl)piperidine-4-carboxylic acid
CID 122047475

Frequently Asked Questions

What is the IUPAC name of ethyl 8-bromo-4-(4-methylpiperidin-1-yl)quinoline-3-carboxylate?
The IUPAC name of ethyl 8-bromo-4-(4-methylpiperidin-1-yl)quinoline-3-carboxylate (CID 163201437) is ethyl 8-bromo-4-(4-methylpiperidin-1-yl)quinoline-3-carboxylate.
What is the SMILES notation for ethyl 8-bromo-4-(4-methylpiperidin-1-yl)quinoline-3-carboxylate?
The canonical SMILES for ethyl 8-bromo-4-(4-methylpiperidin-1-yl)quinoline-3-carboxylate is CCOC(=O)c1cnc2c(Br)cccc2c1N1CCC(C)CC1.
What is the InChIKey of ethyl 8-bromo-4-(4-methylpiperidin-1-yl)quinoline-3-carboxylate?
The InChIKey is FYFBCBAKEDSCMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2O2/c1-3-23-18(22)14-11-20-16-13(5-4-6-15(16)19)17(14)21-9-7-12(2)8-10-21/h4-6,11-12H,3,7-10H2,1-2H3.
What are the key properties of ethyl 8-bromo-4-(4-methylpiperidin-1-yl)quinoline-3-carboxylate?
ethyl 8-bromo-4-(4-methylpiperidin-1-yl)quinoline-3-carboxylate has a molecular weight of 377.28 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-bromo-4-(4-methylpiperidin-1-yl)quinoline-3-carboxylate is sourced from PubChem (CID 163201437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).