quinolin-8-yl 2-ethylhexanoate

C17H21NO2 — CID 163430049

IUPACquinolin-8-yl 2-ethylhexanoate
SMILESCCCCC(CC)C(=O)Oc1cccc2cccnc12
InChIInChI=1S/C17H21NO2/c1-3-5-8-13(4-2)17(19)20-15-11-6-9-14-10-7-12-18-16(14)15/h6-7,9-13H,3-5,8H2,1-2H3
InChIKeyAPSANWDQFMVGAE-UHFFFAOYSA-N
MW271.36 g/mol
LogP4.36
Rot. Bonds6

About quinolin-8-yl 2-ethylhexanoate

quinolin-8-yl 2-ethylhexanoate (PubChem CID 163430049) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is quinolin-8-yl 2-ethylhexanoate.

Molecular Properties

Compound Namequinolin-8-yl 2-ethylhexanoate
PubChem CID163430049
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Namequinolin-8-yl 2-ethylhexanoate
SMILESCCCCC(CC)C(=O)Oc1cccc2cccnc12
InChIInChI=1S/C17H21NO2/c1-3-5-8-13(4-2)17(19)20-15-11-6-9-14-10-7-12-18-16(14)15/h6-7,9-13H,3-5,8H2,1-2H3
InChIKeyAPSANWDQFMVGAE-UHFFFAOYSA-N
XLogP4.36
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-(2-ethylhexanoyloxy)phenyl] 2-ethylhexanoate
CID 122421017
2-quinolin-8-yloxybutanamide
CID 62901439
2-ethyl-N-quinolin-8-ylundecanamide
CID 72712401
quinolin-8-yl N-(4-pentoxyphenyl)carbamate
CID 69031420
quinolin-8-yl N-(4-nonoxyphenyl)carbamate
CID 69032746
quinolin-8-yl N-(4-decoxyphenyl)carbamate
CID 69033339
1-(2-chloro-3-pyridinyl)-2-ethylhexan-1-one
CID 91608208
phenyl 2-ethylhexanoate
CID 11106897
2-quinolin-8-yloxybutanehydrazide
CID 63575214
1-butyl-3-(2-quinolin-8-yloxyethyl)urea
CID 112975943
N-(4-quinolin-8-yloxybut-2-ynyl)pentanamide
CID 90579647
2-quinolin-8-yloxypentan-3-one
CID 64868229

Frequently Asked Questions

What is the IUPAC name of quinolin-8-yl 2-ethylhexanoate?
The IUPAC name of quinolin-8-yl 2-ethylhexanoate (CID 163430049) is quinolin-8-yl 2-ethylhexanoate.
What is the SMILES notation for quinolin-8-yl 2-ethylhexanoate?
The canonical SMILES for quinolin-8-yl 2-ethylhexanoate is CCCCC(CC)C(=O)Oc1cccc2cccnc12.
What is the InChIKey of quinolin-8-yl 2-ethylhexanoate?
The InChIKey is APSANWDQFMVGAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-3-5-8-13(4-2)17(19)20-15-11-6-9-14-10-7-12-18-16(14)15/h6-7,9-13H,3-5,8H2,1-2H3.
What are the key properties of quinolin-8-yl 2-ethylhexanoate?
quinolin-8-yl 2-ethylhexanoate has a molecular weight of 271.36 g/mol, XLogP of 4.36, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for quinolin-8-yl 2-ethylhexanoate is sourced from PubChem (CID 163430049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).