2-[(8-hydroxy-7-pentan-3-ylquinolin-5-yl)methoxy]ethyl 2-methylprop-2-enoate

C21H27NO4 — CID 101414624

IUPAC2-[(8-hydroxy-7-pentan-3-ylquinolin-5-yl)methoxy]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOCc1cc(C(CC)CC)c(O)c2ncccc12
InChIInChI=1S/C21H27NO4/c1-5-15(6-2)18-12-16(13-25-10-11-26-21(24)14(3)4)17-8-7-9-22-19(17)20(18)23/h7-9,12,15,23H,3,5-6,10-11,13H2,1-2,4H3
InChIKeyIZNGXDFAJBBSKU-UHFFFAOYSA-N
MW357.45 g/mol
LogP4.48
Rot. Bonds9

About 2-[(8-hydroxy-7-pentan-3-ylquinolin-5-yl)methoxy]ethyl 2-methylprop-2-enoate

2-[(8-hydroxy-7-pentan-3-ylquinolin-5-yl)methoxy]ethyl 2-methylprop-2-enoate (PubChem CID 101414624) has the molecular formula C21H27NO4 and a molecular weight of 357.45 g/mol. Its IUPAC name is 2-[(8-hydroxy-7-pentan-3-ylquinolin-5-yl)methoxy]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[(8-hydroxy-7-pentan-3-ylquinolin-5-yl)methoxy]ethyl 2-methylprop-2-enoate
PubChem CID101414624
Molecular FormulaC21H27NO4
Molecular Weight357.45 g/mol
Exact Mass357.19
IUPAC Name2-[(8-hydroxy-7-pentan-3-ylquinolin-5-yl)methoxy]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOCc1cc(C(CC)CC)c(O)c2ncccc12
InChIInChI=1S/C21H27NO4/c1-5-15(6-2)18-12-16(13-25-10-11-26-21(24)14(3)4)17-8-7-9-22-19(17)20(18)23/h7-9,12,15,23H,3,5-6,10-11,13H2,1-2,4H3
InChIKeyIZNGXDFAJBBSKU-UHFFFAOYSA-N
XLogP4.48
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[(8-nitrosoquinolin-5-yl)methoxy]ethyl 2-methylprop-2-enoate
CID 89140424
3-(8-hydroxyquinolin-5-yl)propyl 2-methylprop-2-enoate
CID 151753034
2-[(8-hydroxyquinolin-5-yl)methoxy]ethyl propanoate
CID 142164952
2-[2-[3-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]phenoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 118333861
2-(8-hydroxyquinolin-5-yl)ethyl acetate
CID 90678815
2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 3-hydroxybenzoate
CID 118331658
2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 7979
2-[2-[2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 18762112
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 139628547
2-[2-[2-[2-(2-phenoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 21252575
1-(8-pentan-3-ylquinolin-4-yl)ethanone
CID 135254596
5-(ethoxymethyl)-7-(piperidin-1-ylmethyl)quinolin-8-ol
CID 23604739

Frequently Asked Questions

What is the IUPAC name of 2-[(8-hydroxy-7-pentan-3-ylquinolin-5-yl)methoxy]ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[(8-hydroxy-7-pentan-3-ylquinolin-5-yl)methoxy]ethyl 2-methylprop-2-enoate (CID 101414624) is 2-[(8-hydroxy-7-pentan-3-ylquinolin-5-yl)methoxy]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[(8-hydroxy-7-pentan-3-ylquinolin-5-yl)methoxy]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[(8-hydroxy-7-pentan-3-ylquinolin-5-yl)methoxy]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCOCc1cc(C(CC)CC)c(O)c2ncccc12.
What is the InChIKey of 2-[(8-hydroxy-7-pentan-3-ylquinolin-5-yl)methoxy]ethyl 2-methylprop-2-enoate?
The InChIKey is IZNGXDFAJBBSKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO4/c1-5-15(6-2)18-12-16(13-25-10-11-26-21(24)14(3)4)17-8-7-9-22-19(17)20(18)23/h7-9,12,15,23H,3,5-6,10-11,13H2,1-2,4H3.
What are the key properties of 2-[(8-hydroxy-7-pentan-3-ylquinolin-5-yl)methoxy]ethyl 2-methylprop-2-enoate?
2-[(8-hydroxy-7-pentan-3-ylquinolin-5-yl)methoxy]ethyl 2-methylprop-2-enoate has a molecular weight of 357.45 g/mol, XLogP of 4.48, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(8-hydroxy-7-pentan-3-ylquinolin-5-yl)methoxy]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 101414624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).