(2-oxo-1H-quinolin-3-yl)methyl pentanoate

C15H17NO3 — CID 17101124

IUPAC(2-oxo-1H-quinolin-3-yl)methyl pentanoate
SMILESCCCCC(=O)OCc1cc2ccccc2[nH]c1=O
InChIInChI=1S/C15H17NO3/c1-2-3-8-14(17)19-10-12-9-11-6-4-5-7-13(11)16-15(12)18/h4-7,9H,2-3,8,10H2,1H3,(H,16,18)
InChIKeySOMXFBJMUXTOEP-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.76
Rot. Bonds5

About (2-oxo-1H-quinolin-3-yl)methyl pentanoate

(2-oxo-1H-quinolin-3-yl)methyl pentanoate (PubChem CID 17101124) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is (2-oxo-1H-quinolin-3-yl)methyl pentanoate.

Molecular Properties

Compound Name(2-oxo-1H-quinolin-3-yl)methyl pentanoate
PubChem CID17101124
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name(2-oxo-1H-quinolin-3-yl)methyl pentanoate
SMILESCCCCC(=O)OCc1cc2ccccc2[nH]c1=O
InChIInChI=1S/C15H17NO3/c1-2-3-8-14(17)19-10-12-9-11-6-4-5-7-13(11)16-15(12)18/h4-7,9H,2-3,8,10H2,1H3,(H,16,18)
InChIKeySOMXFBJMUXTOEP-UHFFFAOYSA-N
XLogP2.76
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

hexyl 2-(2-oxo-1H-quinolin-3-yl)acetate
CID 102076314
[2-(pentanoyloxymethyl)phenyl]methyl pentanoate
CID 122421006
(2-amino-2-oxoethyl) 2-(2-oxo-1H-quinolin-3-yl)acetate
CID 70202514
[2-(heptanoyloxymethyl)phenyl]methyl heptanoate
CID 122421013
(2-oxo-1H-quinolin-3-yl)methyl 4-tert-butylbenzoate
CID 946725
3-(10-pentoxydecyl)-1H-quinolin-2-one
CID 139729721
butyl-[(2-oxo-1H-quinolin-3-yl)methyl]azanium
CID 2014669
3-(3-propoxypropyl)-1H-quinolin-2-one
CID 141362914
(2-oxo-1H-quinolin-3-yl)methyl 3-(methoxymethyl)benzoate
CID 56789957
N-butyl-2-methoxy-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 2067764
bis[(2-ethylphenyl)methyl] hexanedioate
CID 69430210
N-methyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 942796

Frequently Asked Questions

What is the IUPAC name of (2-oxo-1H-quinolin-3-yl)methyl pentanoate?
The IUPAC name of (2-oxo-1H-quinolin-3-yl)methyl pentanoate (CID 17101124) is (2-oxo-1H-quinolin-3-yl)methyl pentanoate.
What is the SMILES notation for (2-oxo-1H-quinolin-3-yl)methyl pentanoate?
The canonical SMILES for (2-oxo-1H-quinolin-3-yl)methyl pentanoate is CCCCC(=O)OCc1cc2ccccc2[nH]c1=O.
What is the InChIKey of (2-oxo-1H-quinolin-3-yl)methyl pentanoate?
The InChIKey is SOMXFBJMUXTOEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-2-3-8-14(17)19-10-12-9-11-6-4-5-7-13(11)16-15(12)18/h4-7,9H,2-3,8,10H2,1H3,(H,16,18).
What are the key properties of (2-oxo-1H-quinolin-3-yl)methyl pentanoate?
(2-oxo-1H-quinolin-3-yl)methyl pentanoate has a molecular weight of 259.31 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-1H-quinolin-3-yl)methyl pentanoate is sourced from PubChem (CID 17101124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).