methyl 4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoate

C14H17NO4 — CID 13109798

IUPACmethyl 4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoate
SMILESCOC(=O)CCCOc1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C14H17NO4/c1-18-14(17)3-2-8-19-11-5-6-12-10(9-11)4-7-13(16)15-12/h5-6,9H,2-4,7-8H2,1H3,(H,15,16)
InChIKeyFTVJERROOYUOEO-UHFFFAOYSA-N
MW263.29 g/mol
LogP1.90
Rot. Bonds5

About methyl 4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoate

methyl 4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoate (PubChem CID 13109798) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is methyl 4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoate.

Molecular Properties

Compound Namemethyl 4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoate
PubChem CID13109798
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Namemethyl 4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoate
SMILESCOC(=O)CCCOc1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C14H17NO4/c1-18-14(17)3-2-8-19-11-5-6-12-10(9-11)4-7-13(16)15-12/h5-6,9H,2-4,7-8H2,1H3,(H,15,16)
InChIKeyFTVJERROOYUOEO-UHFFFAOYSA-N
XLogP1.90
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoate with MolForge

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Related Compounds

N-hydroxy-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide
CID 86580849
3,3-dimethylbutyl 4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoate
CID 78858511
N-[2-(methylamino)ethyl]-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide;hydrochloride
CID 119501892
5-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]pentanehydrazide
CID 63576665
6-pentoxy-3,4-dihydro-1H-quinolin-2-one
CID 42598028
(2-oxo-3,4-dihydro-1H-quinolin-6-yl) hexanoate
CID 47140803
3-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoylamino]butanoic acid
CID 119221434
methyl 2-amino-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoate
CID 63039322
2-methyl-2-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoylamino]butanoic acid
CID 119199653
methyl N-[4-[[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoylamino]methyl]phenyl]carbamate
CID 55963525
methyl 5-amino-5-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)pentanoate
CID 60860810
N-methyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-(2-phenoxyethyl)butanamide
CID 31905955

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoate?
The IUPAC name of methyl 4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoate (CID 13109798) is methyl 4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoate.
What is the SMILES notation for methyl 4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoate?
The canonical SMILES for methyl 4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoate is COC(=O)CCCOc1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of methyl 4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoate?
The InChIKey is FTVJERROOYUOEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-18-14(17)3-2-8-19-11-5-6-12-10(9-11)4-7-13(16)15-12/h5-6,9H,2-4,7-8H2,1H3,(H,15,16).
What are the key properties of methyl 4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoate?
methyl 4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoate has a molecular weight of 263.29 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoate is sourced from PubChem (CID 13109798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).