benzyl 7-[(2-oxo-3,4-dihydroquinolin-1-yl)oxy]heptanoate

C23H27NO4 — CID 70553378

IUPACbenzyl 7-[(2-oxo-3,4-dihydroquinolin-1-yl)oxy]heptanoate
SMILESO=C(CCCCCCON1C(=O)CCc2ccccc21)OCc1ccccc1
InChIInChI=1S/C23H27NO4/c25-22-16-15-20-12-7-8-13-21(20)24(22)28-17-9-2-1-6-14-23(26)27-18-19-10-4-3-5-11-19/h3-5,7-8,10-13H,1-2,6,9,14-18H2
InChIKeyUBRFYAIOGWXNLP-UHFFFAOYSA-N
MW381.47 g/mol
LogP4.59
Rot. Bonds10

About benzyl 7-[(2-oxo-3,4-dihydroquinolin-1-yl)oxy]heptanoate

benzyl 7-[(2-oxo-3,4-dihydroquinolin-1-yl)oxy]heptanoate (PubChem CID 70553378) has the molecular formula C23H27NO4 and a molecular weight of 381.47 g/mol. Its IUPAC name is benzyl 7-[(2-oxo-3,4-dihydroquinolin-1-yl)oxy]heptanoate.

Molecular Properties

Compound Namebenzyl 7-[(2-oxo-3,4-dihydroquinolin-1-yl)oxy]heptanoate
PubChem CID70553378
Molecular FormulaC23H27NO4
Molecular Weight381.47 g/mol
Exact Mass381.19
IUPAC Namebenzyl 7-[(2-oxo-3,4-dihydroquinolin-1-yl)oxy]heptanoate
SMILESO=C(CCCCCCON1C(=O)CCc2ccccc21)OCc1ccccc1
InChIInChI=1S/C23H27NO4/c25-22-16-15-20-12-7-8-13-21(20)24(22)28-17-9-2-1-6-14-23(26)27-18-19-10-4-3-5-11-19/h3-5,7-8,10-13H,1-2,6,9,14-18H2
InChIKeyUBRFYAIOGWXNLP-UHFFFAOYSA-N
XLogP4.59
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.47
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze benzyl 7-[(2-oxo-3,4-dihydroquinolin-1-yl)oxy]heptanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[(2-oxo-3,4-dihydroquinolin-1-yl)oxy]butoxy]-3,4-dihydroquinolin-2-one
CID 69185939
benzyl 18-(2,5-dioxopyrrolidin-1-yl)octadecanoate
CID 135350418
1-O,14-O,27-O-tribenzyl 14-O-(2,5-dioxopyrrolidin-1-yl) heptacosane-1,14,14,27-tetracarboxylate
CID 167194469
1-[4-[(S)-phenylsulfinyl]butoxy]-3,4-dihydroquinolin-2-one
CID 70607968
benzyl 5-aminooxypentanoate
CID 71521535
26-oxo-26-phenylmethoxyhexacosanoic acid
CID 155487553
1-O-benzyl 4-O-[(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxymethyl] butanedioate
CID 90379430
1-(aminomethoxy)-3,4-dihydroquinolin-2-one;hydrochloride
CID 67793338
benzyl 6-aminohexanoate;hydrochloride
CID 67401791
benzyl 12-oxotridecanoate
CID 21035822
benzyl heptadecanoate
CID 522569
benzyl 16-chloro-16-oxohexadecanoate
CID 131724893

Frequently Asked Questions

What is the IUPAC name of benzyl 7-[(2-oxo-3,4-dihydroquinolin-1-yl)oxy]heptanoate?
The IUPAC name of benzyl 7-[(2-oxo-3,4-dihydroquinolin-1-yl)oxy]heptanoate (CID 70553378) is benzyl 7-[(2-oxo-3,4-dihydroquinolin-1-yl)oxy]heptanoate.
What is the SMILES notation for benzyl 7-[(2-oxo-3,4-dihydroquinolin-1-yl)oxy]heptanoate?
The canonical SMILES for benzyl 7-[(2-oxo-3,4-dihydroquinolin-1-yl)oxy]heptanoate is O=C(CCCCCCON1C(=O)CCc2ccccc21)OCc1ccccc1.
What is the InChIKey of benzyl 7-[(2-oxo-3,4-dihydroquinolin-1-yl)oxy]heptanoate?
The InChIKey is UBRFYAIOGWXNLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO4/c25-22-16-15-20-12-7-8-13-21(20)24(22)28-17-9-2-1-6-14-23(26)27-18-19-10-4-3-5-11-19/h3-5,7-8,10-13H,1-2,6,9,14-18H2.
What are the key properties of benzyl 7-[(2-oxo-3,4-dihydroquinolin-1-yl)oxy]heptanoate?
benzyl 7-[(2-oxo-3,4-dihydroquinolin-1-yl)oxy]heptanoate has a molecular weight of 381.47 g/mol, XLogP of 4.59, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 7-[(2-oxo-3,4-dihydroquinolin-1-yl)oxy]heptanoate is sourced from PubChem (CID 70553378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).