ethyl 6-bromo-3-ethylquinoline-2-carboxylate

C14H14BrNO2 — CID 11551308

IUPACethyl 6-bromo-3-ethylquinoline-2-carboxylate
SMILESCCOC(=O)c1nc2ccc(Br)cc2cc1CC
InChIInChI=1S/C14H14BrNO2/c1-3-9-7-10-8-11(15)5-6-12(10)16-13(9)14(17)18-4-2/h5-8H,3-4H2,1-2H3
InChIKeyKYNRXLSOUAMOTG-UHFFFAOYSA-N
MW308.18 g/mol
LogP3.74
Rot. Bonds3

About ethyl 6-bromo-3-ethylquinoline-2-carboxylate

ethyl 6-bromo-3-ethylquinoline-2-carboxylate (PubChem CID 11551308) has the molecular formula C14H14BrNO2 and a molecular weight of 308.18 g/mol. Its IUPAC name is ethyl 6-bromo-3-ethylquinoline-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-bromo-3-ethylquinoline-2-carboxylate
PubChem CID11551308
Molecular FormulaC14H14BrNO2
Molecular Weight308.18 g/mol
Exact Mass307.02
IUPAC Nameethyl 6-bromo-3-ethylquinoline-2-carboxylate
SMILESCCOC(=O)c1nc2ccc(Br)cc2cc1CC
InChIInChI=1S/C14H14BrNO2/c1-3-9-7-10-8-11(15)5-6-12(10)16-13(9)14(17)18-4-2/h5-8H,3-4H2,1-2H3
InChIKeyKYNRXLSOUAMOTG-UHFFFAOYSA-N
XLogP3.74
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 6-bromo-3-ethylsulfanylquinoline-2-carboxylate
CID 121398046
ethyl 5-bromo-3-ethylquinoline-2-carboxylate
CID 176885613
ethyl 2-[6-bromo-2-(trifluoromethyl)quinolin-3-yl]acetate
CID 177016242
ethyl 7-bromo-3-oxo-4H-quinoxaline-2-carboxylate
CID 18369213
diethyl 6-fluoroquinoline-2,3-dicarboxylate
CID 13351927
1-(6-bromo-2-methylquinolin-3-yl)-3-hydroxypropan-2-one
CID 171788493
ethyl 3,6-dibromopyridine-2-carboxylate
CID 46311333
ethyl 5-(4-bromo-2-methylphenyl)-2H-triazole-4-carboxylate
CID 169399200
ethyl 5-amino-1-(2,4-dibromophenyl)-2-ethylimidazole-4-carboxylate
CID 63465967
ethyl 6-(dibromomethyl)-3-ethylpyridine-2-carboxylate
CID 69353599
ethyl 6-bromo-4-oxo-3H-quinazoline-2-carboxylate
CID 135726667
ethyl 3-bromo-6,7-dimethoxyquinoxaline-2-carboxylate
CID 133060108

Frequently Asked Questions

What is the IUPAC name of ethyl 6-bromo-3-ethylquinoline-2-carboxylate?
The IUPAC name of ethyl 6-bromo-3-ethylquinoline-2-carboxylate (CID 11551308) is ethyl 6-bromo-3-ethylquinoline-2-carboxylate.
What is the SMILES notation for ethyl 6-bromo-3-ethylquinoline-2-carboxylate?
The canonical SMILES for ethyl 6-bromo-3-ethylquinoline-2-carboxylate is CCOC(=O)c1nc2ccc(Br)cc2cc1CC.
What is the InChIKey of ethyl 6-bromo-3-ethylquinoline-2-carboxylate?
The InChIKey is KYNRXLSOUAMOTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO2/c1-3-9-7-10-8-11(15)5-6-12(10)16-13(9)14(17)18-4-2/h5-8H,3-4H2,1-2H3.
What are the key properties of ethyl 6-bromo-3-ethylquinoline-2-carboxylate?
ethyl 6-bromo-3-ethylquinoline-2-carboxylate has a molecular weight of 308.18 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-bromo-3-ethylquinoline-2-carboxylate is sourced from PubChem (CID 11551308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).