2-[(4-methyl-2-oxo-1H-quinolin-7-yl)oxy]ethyl 2-methylprop-2-enoate

C16H17NO4 — CID 118662678

IUPAC2-[(4-methyl-2-oxo-1H-quinolin-7-yl)oxy]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOc1ccc2c(C)cc(=O)[nH]c2c1
InChIInChI=1S/C16H17NO4/c1-10(2)16(19)21-7-6-20-12-4-5-13-11(3)8-15(18)17-14(13)9-12/h4-5,8-9H,1,6-7H2,2-3H3,(H,17,18)
InChIKeyAKYFGOHBAXVHOO-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.33
Rot. Bonds5

About 2-[(4-methyl-2-oxo-1H-quinolin-7-yl)oxy]ethyl 2-methylprop-2-enoate

2-[(4-methyl-2-oxo-1H-quinolin-7-yl)oxy]ethyl 2-methylprop-2-enoate (PubChem CID 118662678) has the molecular formula C16H17NO4 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-[(4-methyl-2-oxo-1H-quinolin-7-yl)oxy]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[(4-methyl-2-oxo-1H-quinolin-7-yl)oxy]ethyl 2-methylprop-2-enoate
PubChem CID118662678
Molecular FormulaC16H17NO4
Molecular Weight287.32 g/mol
Exact Mass287.12
IUPAC Name2-[(4-methyl-2-oxo-1H-quinolin-7-yl)oxy]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOc1ccc2c(C)cc(=O)[nH]c2c1
InChIInChI=1S/C16H17NO4/c1-10(2)16(19)21-7-6-20-12-4-5-13-11(3)8-15(18)17-14(13)9-12/h4-5,8-9H,1,6-7H2,2-3H3,(H,17,18)
InChIKeyAKYFGOHBAXVHOO-UHFFFAOYSA-N
XLogP2.33
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[2-[3-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]phenoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 118333861
2-(4-benzoyl-3-methylphenoxy)ethyl 2-methylprop-2-enoate
CID 89363324
2-[4-[2-[3,5-dimethyl-4-[2-(2-methylprop-2-enoyloxy)ethoxy]phenyl]propan-2-yl]-2,6-dimethylphenoxy]ethyl 2-methylprop-2-enoate
CID 19799411
2-[2-[2-[2-(2-phenoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 21252575
2-[3-(2-methylprop-2-enoyloxy)-5-[2-(2-methylprop-2-enoyloxy)ethoxy]phenoxy]ethyl 2-methylprop-2-enoate
CID 135209308
2-[4-[4-[2-(2-methylprop-2-enoyloxy)ethoxy]phenyl]sulfonylphenoxy]ethyl 2-methylprop-2-enoate
CID 22239251
2-(4-acetamidophenoxy)ethyl 2-methylprop-2-enoate
CID 70603305
2-[2-[2-[2-[4-[2-[4-[2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl]propan-2-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 101011934
8-naphthalen-2-yloxyoctyl 2-methylprop-2-enoate
CID 67166599
2-[2-[2-[2-[2-[2-[2-(4-hydroxy-3-nonylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 139769952
5-[4-[4-[5-(2-methylprop-2-enoyloxy)pentoxy]phenyl]phenoxy]pentyl 2-methylprop-2-enoate
CID 118286214
2-[4-[4-(2-propanoyloxyethoxy)phenyl]phenoxy]ethyl 2-methylprop-2-enoate
CID 163508715

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-2-oxo-1H-quinolin-7-yl)oxy]ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[(4-methyl-2-oxo-1H-quinolin-7-yl)oxy]ethyl 2-methylprop-2-enoate (CID 118662678) is 2-[(4-methyl-2-oxo-1H-quinolin-7-yl)oxy]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[(4-methyl-2-oxo-1H-quinolin-7-yl)oxy]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[(4-methyl-2-oxo-1H-quinolin-7-yl)oxy]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCOc1ccc2c(C)cc(=O)[nH]c2c1.
What is the InChIKey of 2-[(4-methyl-2-oxo-1H-quinolin-7-yl)oxy]ethyl 2-methylprop-2-enoate?
The InChIKey is AKYFGOHBAXVHOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4/c1-10(2)16(19)21-7-6-20-12-4-5-13-11(3)8-15(18)17-14(13)9-12/h4-5,8-9H,1,6-7H2,2-3H3,(H,17,18).
What are the key properties of 2-[(4-methyl-2-oxo-1H-quinolin-7-yl)oxy]ethyl 2-methylprop-2-enoate?
2-[(4-methyl-2-oxo-1H-quinolin-7-yl)oxy]ethyl 2-methylprop-2-enoate has a molecular weight of 287.32 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-2-oxo-1H-quinolin-7-yl)oxy]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 118662678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).