ethyl butanoate;quinoline

C15H19NO2 — CID 174829531

IUPACethyl butanoate;quinoline
SMILESCCCC(=O)OCC.c1ccc2ncccc2c1
InChIInChI=1S/C9H7N.C6H12O2/c1-2-6-9-8(4-1)5-3-7-10-9;1-3-5-6(7)8-4-2/h1-7H;3-5H2,1-2H3
InChIKeyRCVIOYIGHIXQIQ-UHFFFAOYSA-N
MW245.32 g/mol
LogP3.58
Rot. Bonds3

About ethyl butanoate;quinoline

ethyl butanoate;quinoline (PubChem CID 174829531) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is ethyl butanoate;quinoline.

Molecular Properties

Compound Nameethyl butanoate;quinoline
PubChem CID174829531
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Nameethyl butanoate;quinoline
SMILESCCCC(=O)OCC.c1ccc2ncccc2c1
InChIInChI=1S/C9H7N.C6H12O2/c1-2-6-9-8(4-1)5-3-7-10-9;1-3-5-6(7)8-4-2/h1-7H;3-5H2,1-2H3
InChIKeyRCVIOYIGHIXQIQ-UHFFFAOYSA-N
XLogP3.58
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl butanoate;quinoline?
The IUPAC name of ethyl butanoate;quinoline (CID 174829531) is ethyl butanoate;quinoline.
What is the SMILES notation for ethyl butanoate;quinoline?
The canonical SMILES for ethyl butanoate;quinoline is CCCC(=O)OCC.c1ccc2ncccc2c1.
What is the InChIKey of ethyl butanoate;quinoline?
The InChIKey is RCVIOYIGHIXQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N.C6H12O2/c1-2-6-9-8(4-1)5-3-7-10-9;1-3-5-6(7)8-4-2/h1-7H;3-5H2,1-2H3.
What are the key properties of ethyl butanoate;quinoline?
ethyl butanoate;quinoline has a molecular weight of 245.32 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl butanoate;quinoline is sourced from PubChem (CID 174829531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).