hexyl 2-(2-oxo-1H-quinolin-3-yl)acetate

C17H21NO3 — CID 102076314

IUPAChexyl 2-(2-oxo-1H-quinolin-3-yl)acetate
SMILESCCCCCCOC(=O)Cc1cc2ccccc2[nH]c1=O
InChIInChI=1S/C17H21NO3/c1-2-3-4-7-10-21-16(19)12-14-11-13-8-5-6-9-15(13)18-17(14)20/h5-6,8-9,11H,2-4,7,10,12H2,1H3,(H,18,20)
InChIKeyILYCQXCYDNWDJT-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.19
Rot. Bonds7

About hexyl 2-(2-oxo-1H-quinolin-3-yl)acetate

hexyl 2-(2-oxo-1H-quinolin-3-yl)acetate (PubChem CID 102076314) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is hexyl 2-(2-oxo-1H-quinolin-3-yl)acetate.

Molecular Properties

Compound Namehexyl 2-(2-oxo-1H-quinolin-3-yl)acetate
PubChem CID102076314
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Namehexyl 2-(2-oxo-1H-quinolin-3-yl)acetate
SMILESCCCCCCOC(=O)Cc1cc2ccccc2[nH]c1=O
InChIInChI=1S/C17H21NO3/c1-2-3-4-7-10-21-16(19)12-14-11-13-8-5-6-9-15(13)18-17(14)20/h5-6,8-9,11H,2-4,7,10,12H2,1H3,(H,18,20)
InChIKeyILYCQXCYDNWDJT-UHFFFAOYSA-N
XLogP3.19
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-oxo-1H-quinolin-3-yl)methyl pentanoate
CID 17101124
3-(10-pentoxydecyl)-1H-quinolin-2-one
CID 139729721
(2-amino-2-oxoethyl) 2-(2-oxo-1H-quinolin-3-yl)acetate
CID 70202514
octyl 2-(2-hydroxyphenyl)acetate
CID 174380401
3-(3-propoxypropyl)-1H-quinolin-2-one
CID 141362914
butyl 1H-indole-2-carboxylate
CID 54052397
butyl-[(2-oxo-1H-quinolin-3-yl)methyl]azanium
CID 2014669
dodecyl 2-[4-(2-dodecoxy-2-oxoethyl)phenyl]acetate
CID 160686951
octyl 2-phenylacetate;oxophosphanium
CID 160645862
dodecyl 2-(2-phenylphenyl)acetate
CID 54053058
decyl 2-(4-phenylphenyl)acetate
CID 121280824
N-butyl-2-methoxy-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 2067764

Frequently Asked Questions

What is the IUPAC name of hexyl 2-(2-oxo-1H-quinolin-3-yl)acetate?
The IUPAC name of hexyl 2-(2-oxo-1H-quinolin-3-yl)acetate (CID 102076314) is hexyl 2-(2-oxo-1H-quinolin-3-yl)acetate.
What is the SMILES notation for hexyl 2-(2-oxo-1H-quinolin-3-yl)acetate?
The canonical SMILES for hexyl 2-(2-oxo-1H-quinolin-3-yl)acetate is CCCCCCOC(=O)Cc1cc2ccccc2[nH]c1=O.
What is the InChIKey of hexyl 2-(2-oxo-1H-quinolin-3-yl)acetate?
The InChIKey is ILYCQXCYDNWDJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-2-3-4-7-10-21-16(19)12-14-11-13-8-5-6-9-15(13)18-17(14)20/h5-6,8-9,11H,2-4,7,10,12H2,1H3,(H,18,20).
What are the key properties of hexyl 2-(2-oxo-1H-quinolin-3-yl)acetate?
hexyl 2-(2-oxo-1H-quinolin-3-yl)acetate has a molecular weight of 287.36 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hexyl 2-(2-oxo-1H-quinolin-3-yl)acetate is sourced from PubChem (CID 102076314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).