3-(8-hydroxyquinolin-5-yl)propyl 2-methylprop-2-enoate

C16H17NO3 — CID 151753034

IUPAC3-(8-hydroxyquinolin-5-yl)propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCc1ccc(O)c2ncccc12
InChIInChI=1S/C16H17NO3/c1-11(2)16(19)20-10-4-5-12-7-8-14(18)15-13(12)6-3-9-17-15/h3,6-9,18H,1,4-5,10H2,2H3
InChIKeyROYUAPJAAYQYHL-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.99
Rot. Bonds5

About 3-(8-hydroxyquinolin-5-yl)propyl 2-methylprop-2-enoate

3-(8-hydroxyquinolin-5-yl)propyl 2-methylprop-2-enoate (PubChem CID 151753034) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 3-(8-hydroxyquinolin-5-yl)propyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name3-(8-hydroxyquinolin-5-yl)propyl 2-methylprop-2-enoate
PubChem CID151753034
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name3-(8-hydroxyquinolin-5-yl)propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCc1ccc(O)c2ncccc12
InChIInChI=1S/C16H17NO3/c1-11(2)16(19)20-10-4-5-12-7-8-14(18)15-13(12)6-3-9-17-15/h3,6-9,18H,1,4-5,10H2,2H3
InChIKeyROYUAPJAAYQYHL-UHFFFAOYSA-N
XLogP2.99
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.99
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-(8-hydroxyquinolin-5-yl)ethyl acetate
CID 90678815
3-(2,3-diethoxy-4-propylphenyl)propyl 2-methylprop-2-enoate
CID 151563185
2-[(8-nitrosoquinolin-5-yl)methoxy]ethyl 2-methylprop-2-enoate
CID 89140424
2-[(8-hydroxyquinolin-5-yl)methoxy]ethyl propanoate
CID 142164952
3-anthracen-1-ylpropyl 2-methylprop-2-enoate
CID 164705675
2-[(8-hydroxy-7-pentan-3-ylquinolin-5-yl)methoxy]ethyl 2-methylprop-2-enoate
CID 101414624
5-[3-[methyl(prop-2-ynyl)amino]propyl]quinolin-8-ol;hydrochloride
CID 87133859
5-[(dimethylamino)methyl]quinolin-8-ol
CID 5118731
CID 175978198
CID 175978198
2-amino-3-(8-hydroxyquinolin-5-yl)propanoic acid;dihydrochloride
CID 154727412
5-(octoxymethyl)quinolin-8-ol;hydrochloride
CID 46946912
4-(3,4-dihydroxyphenyl)butyl 2-methylprop-2-enoate
CID 167431322

Frequently Asked Questions

What is the IUPAC name of 3-(8-hydroxyquinolin-5-yl)propyl 2-methylprop-2-enoate?
The IUPAC name of 3-(8-hydroxyquinolin-5-yl)propyl 2-methylprop-2-enoate (CID 151753034) is 3-(8-hydroxyquinolin-5-yl)propyl 2-methylprop-2-enoate.
What is the SMILES notation for 3-(8-hydroxyquinolin-5-yl)propyl 2-methylprop-2-enoate?
The canonical SMILES for 3-(8-hydroxyquinolin-5-yl)propyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCc1ccc(O)c2ncccc12.
What is the InChIKey of 3-(8-hydroxyquinolin-5-yl)propyl 2-methylprop-2-enoate?
The InChIKey is ROYUAPJAAYQYHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-11(2)16(19)20-10-4-5-12-7-8-14(18)15-13(12)6-3-9-17-15/h3,6-9,18H,1,4-5,10H2,2H3.
What are the key properties of 3-(8-hydroxyquinolin-5-yl)propyl 2-methylprop-2-enoate?
3-(8-hydroxyquinolin-5-yl)propyl 2-methylprop-2-enoate has a molecular weight of 271.32 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-hydroxyquinolin-5-yl)propyl 2-methylprop-2-enoate is sourced from PubChem (CID 151753034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).