ethyl 8-butoxyquinoline-5-carboxylate

C16H19NO3 — CID 96709879

IUPACethyl 8-butoxyquinoline-5-carboxylate
SMILESCCCCOc1ccc(C(=O)OCC)c2cccnc12
InChIInChI=1S/C16H19NO3/c1-3-5-11-20-14-9-8-13(16(18)19-4-2)12-7-6-10-17-15(12)14/h6-10H,3-5,11H2,1-2H3
InChIKeyZPWUXALVIVALAM-UHFFFAOYSA-N
MW273.33 g/mol
LogP3.59
Rot. Bonds6

About ethyl 8-butoxyquinoline-5-carboxylate

ethyl 8-butoxyquinoline-5-carboxylate (PubChem CID 96709879) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is ethyl 8-butoxyquinoline-5-carboxylate.

Molecular Properties

Compound Nameethyl 8-butoxyquinoline-5-carboxylate
PubChem CID96709879
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Nameethyl 8-butoxyquinoline-5-carboxylate
SMILESCCCCOc1ccc(C(=O)OCC)c2cccnc12
InChIInChI=1S/C16H19NO3/c1-3-5-11-20-14-9-8-13(16(18)19-4-2)12-7-6-10-17-15(12)14/h6-10H,3-5,11H2,1-2H3
InChIKeyZPWUXALVIVALAM-UHFFFAOYSA-N
XLogP3.59
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(8-butoxyquinolin-5-yl)-piperidin-4-ylmethanone
CID 96709887
8-ethoxyquinoline-5-carbohydrazide
CID 84613958
diethyl 2,5-dibutoxybenzene-1,4-dicarboxylate
CID 639937
N-(8-butoxyquinolin-5-yl)-2,2-dimethylpropanamide
CID 100773589
CID 20678160
CID 20678160
(2S)-N-(8-butoxyquinolin-5-yl)-2-ethoxy-2-methylhexanamide
CID 100776734
(2R)-N-(8-butoxyquinolin-5-yl)-2-ethoxy-2-methylpentanamide
CID 100776505
dibutyl 2,3-dibutoxybenzene-1,4-dicarboxylate
CID 90075553
ethyl 4-decoxy-2-hexoxybenzoate
CID 141156518
2-ethoxy-2-methyl-N-(8-propoxyquinolin-5-yl)heptanamide
CID 133205790
2-butoxy-N-(8-methoxyquinolin-5-yl)benzamide
CID 26823129
ethyl 3-(5-nitroquinolin-8-yl)oxypropanoate
CID 60865673

Frequently Asked Questions

What is the IUPAC name of ethyl 8-butoxyquinoline-5-carboxylate?
The IUPAC name of ethyl 8-butoxyquinoline-5-carboxylate (CID 96709879) is ethyl 8-butoxyquinoline-5-carboxylate.
What is the SMILES notation for ethyl 8-butoxyquinoline-5-carboxylate?
The canonical SMILES for ethyl 8-butoxyquinoline-5-carboxylate is CCCCOc1ccc(C(=O)OCC)c2cccnc12.
What is the InChIKey of ethyl 8-butoxyquinoline-5-carboxylate?
The InChIKey is ZPWUXALVIVALAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-3-5-11-20-14-9-8-13(16(18)19-4-2)12-7-6-10-17-15(12)14/h6-10H,3-5,11H2,1-2H3.
What are the key properties of ethyl 8-butoxyquinoline-5-carboxylate?
ethyl 8-butoxyquinoline-5-carboxylate has a molecular weight of 273.33 g/mol, XLogP of 3.59, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-butoxyquinoline-5-carboxylate is sourced from PubChem (CID 96709879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).