(2-oxoquinolin-1-yl) undecanoate

C20H27NO3 — CID 57076345

IUPAC(2-oxoquinolin-1-yl) undecanoate
SMILESCCCCCCCCCCC(=O)On1c(=O)ccc2ccccc21
InChIInChI=1S/C20H27NO3/c1-2-3-4-5-6-7-8-9-14-20(23)24-21-18-13-11-10-12-17(18)15-16-19(21)22/h10-13,15-16H,2-9,14H2,1H3
InChIKeyHPMJSFTZJHQYTI-UHFFFAOYSA-N
MW329.44 g/mol
LogP4.49
Rot. Bonds10

About (2-oxoquinolin-1-yl) undecanoate

(2-oxoquinolin-1-yl) undecanoate (PubChem CID 57076345) has the molecular formula C20H27NO3 and a molecular weight of 329.44 g/mol. Its IUPAC name is (2-oxoquinolin-1-yl) undecanoate.

Molecular Properties

Compound Name(2-oxoquinolin-1-yl) undecanoate
PubChem CID57076345
Molecular FormulaC20H27NO3
Molecular Weight329.44 g/mol
Exact Mass329.20
IUPAC Name(2-oxoquinolin-1-yl) undecanoate
SMILESCCCCCCCCCCC(=O)On1c(=O)ccc2ccccc21
InChIInChI=1S/C20H27NO3/c1-2-3-4-5-6-7-8-9-14-20(23)24-21-18-13-11-10-12-17(18)15-16-19(21)22/h10-13,15-16H,2-9,14H2,1H3
InChIKeyHPMJSFTZJHQYTI-UHFFFAOYSA-N
XLogP4.49
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(9-oxoacridin-10-yl) hexanoate
CID 154249788
(3-hydroxyindol-1-yl) octadecanoate
CID 67190886
1-indol-1-yloctadecan-1-one
CID 58661273
(2,5-dihydroxypyrrol-1-yl) tetracos-15-enoate
CID 91123132
pyrrol-1-yl hexadecanoate
CID 174900784
(2-nonanoyloxyphenyl) undecanoate
CID 90023956
naphthalen-2-yl hexadecanoate;phenyl hexadecanoate
CID 157132352
phenyl tridecanoate
CID 54389784
phenyl hexapentacontanoate
CID 139682998
phenyl hexacosanoate
CID 23321598
phenyl dopentacontanoate
CID 139682818
phenyl triacontanoate
CID 54018873

Frequently Asked Questions

What is the IUPAC name of (2-oxoquinolin-1-yl) undecanoate?
The IUPAC name of (2-oxoquinolin-1-yl) undecanoate (CID 57076345) is (2-oxoquinolin-1-yl) undecanoate.
What is the SMILES notation for (2-oxoquinolin-1-yl) undecanoate?
The canonical SMILES for (2-oxoquinolin-1-yl) undecanoate is CCCCCCCCCCC(=O)On1c(=O)ccc2ccccc21.
What is the InChIKey of (2-oxoquinolin-1-yl) undecanoate?
The InChIKey is HPMJSFTZJHQYTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO3/c1-2-3-4-5-6-7-8-9-14-20(23)24-21-18-13-11-10-12-17(18)15-16-19(21)22/h10-13,15-16H,2-9,14H2,1H3.
What are the key properties of (2-oxoquinolin-1-yl) undecanoate?
(2-oxoquinolin-1-yl) undecanoate has a molecular weight of 329.44 g/mol, XLogP of 4.49, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxoquinolin-1-yl) undecanoate is sourced from PubChem (CID 57076345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).