pentyl 2-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]butanoate

C18H25NO4 — CID 12821891

IUPACpentyl 2-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]butanoate
SMILESCCCCCOC(=O)C(CC)Oc1ccc2c(c1)NC(=O)CC2
InChIInChI=1S/C18H25NO4/c1-3-5-6-11-22-18(21)16(4-2)23-14-9-7-13-8-10-17(20)19-15(13)12-14/h7,9,12,16H,3-6,8,10-11H2,1-2H3,(H,19,20)
InChIKeyKLZWRDGCAPDEIY-UHFFFAOYSA-N
MW319.40 g/mol
LogP3.46
Rot. Bonds8

About pentyl 2-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]butanoate

pentyl 2-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]butanoate (PubChem CID 12821891) has the molecular formula C18H25NO4 and a molecular weight of 319.40 g/mol. Its IUPAC name is pentyl 2-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]butanoate.

Molecular Properties

Compound Namepentyl 2-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]butanoate
PubChem CID12821891
Molecular FormulaC18H25NO4
Molecular Weight319.40 g/mol
Exact Mass319.18
IUPAC Namepentyl 2-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]butanoate
SMILESCCCCCOC(=O)C(CC)Oc1ccc2c(c1)NC(=O)CC2
InChIInChI=1S/C18H25NO4/c1-3-5-6-11-22-18(21)16(4-2)23-14-9-7-13-8-10-17(20)19-15(13)12-14/h7,9,12,16H,3-6,8,10-11H2,1-2H3,(H,19,20)
InChIKeyKLZWRDGCAPDEIY-UHFFFAOYSA-N
XLogP3.46
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze pentyl 2-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]butanoate with MolForge

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Related Compounds

7-(4-methoxybutoxy)-3,4-dihydro-1H-quinolin-2-one
CID 114940015
2-fluoro-2-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]acetic acid
CID 114939875
6-pentoxy-3,4-dihydro-1H-quinolin-2-one
CID 42598028
N'-hydroxy-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanimidamide
CID 76915648
7-(2-oxopropoxy)-3,4-dihydro-1H-quinolin-2-one
CID 112704281
ethyl 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]propanoate
CID 12821880
N-(2-methylpropyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]propanamide
CID 114939986
methyl 3-amino-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]propanoate
CID 114242135
(2-oxo-3,4-dihydro-1H-quinolin-6-yl) hexanoate
CID 47140803
N-(3-methylbutan-2-yl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]acetamide
CID 114940002
6-amino-7-heptoxy-3,4-dihydro-1H-quinolin-2-one
CID 43455700
7-(2,2-diethoxyethoxy)-3,4-dihydro-1H-quinolin-2-one
CID 114939923

Frequently Asked Questions

What is the IUPAC name of pentyl 2-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]butanoate?
The IUPAC name of pentyl 2-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]butanoate (CID 12821891) is pentyl 2-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]butanoate.
What is the SMILES notation for pentyl 2-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]butanoate?
The canonical SMILES for pentyl 2-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]butanoate is CCCCCOC(=O)C(CC)Oc1ccc2c(c1)NC(=O)CC2.
What is the InChIKey of pentyl 2-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]butanoate?
The InChIKey is KLZWRDGCAPDEIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO4/c1-3-5-6-11-22-18(21)16(4-2)23-14-9-7-13-8-10-17(20)19-15(13)12-14/h7,9,12,16H,3-6,8,10-11H2,1-2H3,(H,19,20).
What are the key properties of pentyl 2-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]butanoate?
pentyl 2-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]butanoate has a molecular weight of 319.40 g/mol, XLogP of 3.46, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pentyl 2-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]butanoate is sourced from PubChem (CID 12821891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).