(2-oxo-3,4-dihydro-1H-quinolin-6-yl) hexanoate

C15H19NO3 — CID 47140803

IUPAC(2-oxo-3,4-dihydro-1H-quinolin-6-yl) hexanoate
SMILESCCCCCC(=O)Oc1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C15H19NO3/c1-2-3-4-5-15(18)19-12-7-8-13-11(10-12)6-9-14(17)16-13/h7-8,10H,2-6,9H2,1H3,(H,16,17)
InChIKeyPSJABFARRFAUDJ-UHFFFAOYSA-N
MW261.32 g/mol
LogP3.06
Rot. Bonds5

About (2-oxo-3,4-dihydro-1H-quinolin-6-yl) hexanoate

(2-oxo-3,4-dihydro-1H-quinolin-6-yl) hexanoate (PubChem CID 47140803) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is (2-oxo-3,4-dihydro-1H-quinolin-6-yl) hexanoate.

Molecular Properties

Compound Name(2-oxo-3,4-dihydro-1H-quinolin-6-yl) hexanoate
PubChem CID47140803
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name(2-oxo-3,4-dihydro-1H-quinolin-6-yl) hexanoate
SMILESCCCCCC(=O)Oc1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C15H19NO3/c1-2-3-4-5-15(18)19-12-7-8-13-11(10-12)6-9-14(17)16-13/h7-8,10H,2-6,9H2,1H3,(H,16,17)
InChIKeyPSJABFARRFAUDJ-UHFFFAOYSA-N
XLogP3.06
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-pentoxy-3,4-dihydro-1H-quinolin-2-one
CID 42598028
methyl 4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoate
CID 13109798
1,2,3,4-tetrahydroquinolin-6-yl hexanoate
CID 23036154
(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoate
CID 71896511
(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 3-(1,3-dioxoisoindol-2-yl)propanoate
CID 18205232
ethyl 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]propanoate
CID 12821880
3,3-dimethylbutyl 4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoate
CID 78858511
(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 2-chloropropanoate
CID 57243759
(7-methoxynaphthalen-2-yl) 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetate
CID 51112368
N-butyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-phenylbutanamide
CID 13200337
N-ethyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
CID 47157896
(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 2-[(3,4-dimethylphenyl)sulfonyl-methylamino]acetate
CID 71898874

Frequently Asked Questions

What is the IUPAC name of (2-oxo-3,4-dihydro-1H-quinolin-6-yl) hexanoate?
The IUPAC name of (2-oxo-3,4-dihydro-1H-quinolin-6-yl) hexanoate (CID 47140803) is (2-oxo-3,4-dihydro-1H-quinolin-6-yl) hexanoate.
What is the SMILES notation for (2-oxo-3,4-dihydro-1H-quinolin-6-yl) hexanoate?
The canonical SMILES for (2-oxo-3,4-dihydro-1H-quinolin-6-yl) hexanoate is CCCCCC(=O)Oc1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of (2-oxo-3,4-dihydro-1H-quinolin-6-yl) hexanoate?
The InChIKey is PSJABFARRFAUDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-2-3-4-5-15(18)19-12-7-8-13-11(10-12)6-9-14(17)16-13/h7-8,10H,2-6,9H2,1H3,(H,16,17).
What are the key properties of (2-oxo-3,4-dihydro-1H-quinolin-6-yl) hexanoate?
(2-oxo-3,4-dihydro-1H-quinolin-6-yl) hexanoate has a molecular weight of 261.32 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-3,4-dihydro-1H-quinolin-6-yl) hexanoate is sourced from PubChem (CID 47140803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).