butyl quinoline-3-carboxylate

C14H15NO2 — CID 54753708

IUPACbutyl quinoline-3-carboxylate
SMILESCCCCOC(=O)c1cnc2ccccc2c1
InChIInChI=1S/C14H15NO2/c1-2-3-8-17-14(16)12-9-11-6-4-5-7-13(11)15-10-12/h4-7,9-10H,2-3,8H2,1H3
InChIKeyBNWCMXFHUSFBIJ-UHFFFAOYSA-N
MW229.28 g/mol
LogP3.19
Rot. Bonds4

About butyl quinoline-3-carboxylate

butyl quinoline-3-carboxylate (PubChem CID 54753708) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is butyl quinoline-3-carboxylate.

Molecular Properties

Compound Namebutyl quinoline-3-carboxylate
PubChem CID54753708
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Namebutyl quinoline-3-carboxylate
SMILESCCCCOC(=O)c1cnc2ccccc2c1
InChIInChI=1S/C14H15NO2/c1-2-3-8-17-14(16)12-9-11-6-4-5-7-13(11)15-10-12/h4-7,9-10H,2-3,8H2,1H3
InChIKeyBNWCMXFHUSFBIJ-UHFFFAOYSA-N
XLogP3.19
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

prop-2-enyl quinoline-3-carboxylate
CID 54359165
1-quinolin-3-yloctan-1-one
CID 114963108
(111C)butyl benzoate
CID 11994383
ethyl 3-oxo-3-quinolin-3-ylpropanoate
CID 22925293
butyl benzoate;dihydrochloride
CID 141031125
butyl benzoate;methane
CID 174523775
dibutyl pyridine-2,5-dicarboxylate
CID 4266603
2-amino-2-methyl-1-quinolin-3-ylpentan-1-one
CID 116556948
butyl 1H-imidazo[4,5-b]pyridine-6-carboxylate
CID 177060791
butyl 3-oxo-4H-quinoxaline-6-carboxylate
CID 130220799
bis(quinoline-3-carbonyl) (E)-but-2-enedioate
CID 174526131
bis(dibutyl benzene-1,4-dicarboxylate);hydrogen peroxide
CID 175173285

Frequently Asked Questions

What is the IUPAC name of butyl quinoline-3-carboxylate?
The IUPAC name of butyl quinoline-3-carboxylate (CID 54753708) is butyl quinoline-3-carboxylate.
What is the SMILES notation for butyl quinoline-3-carboxylate?
The canonical SMILES for butyl quinoline-3-carboxylate is CCCCOC(=O)c1cnc2ccccc2c1.
What is the InChIKey of butyl quinoline-3-carboxylate?
The InChIKey is BNWCMXFHUSFBIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-2-3-8-17-14(16)12-9-11-6-4-5-7-13(11)15-10-12/h4-7,9-10H,2-3,8H2,1H3.
What are the key properties of butyl quinoline-3-carboxylate?
butyl quinoline-3-carboxylate has a molecular weight of 229.28 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl quinoline-3-carboxylate is sourced from PubChem (CID 54753708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).