2-[(8-nitrosoquinolin-5-yl)methoxy]ethyl 2-methylprop-2-enoate

C16H16N2O4 — CID 89140424

IUPAC2-[(8-nitrosoquinolin-5-yl)methoxy]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOCc1ccc(N=O)c2ncccc12
InChIInChI=1S/C16H16N2O4/c1-11(2)16(19)22-9-8-21-10-12-5-6-14(18-20)15-13(12)4-3-7-17-15/h3-7H,1,8-10H2,2H3
InChIKeyFDDURZATVPICCW-UHFFFAOYSA-N
MW300.31 g/mol
LogP3.27
Rot. Bonds7

About 2-[(8-nitrosoquinolin-5-yl)methoxy]ethyl 2-methylprop-2-enoate

2-[(8-nitrosoquinolin-5-yl)methoxy]ethyl 2-methylprop-2-enoate (PubChem CID 89140424) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is 2-[(8-nitrosoquinolin-5-yl)methoxy]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[(8-nitrosoquinolin-5-yl)methoxy]ethyl 2-methylprop-2-enoate
PubChem CID89140424
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Name2-[(8-nitrosoquinolin-5-yl)methoxy]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOCc1ccc(N=O)c2ncccc12
InChIInChI=1S/C16H16N2O4/c1-11(2)16(19)22-9-8-21-10-12-5-6-14(18-20)15-13(12)4-3-7-17-15/h3-7H,1,8-10H2,2H3
InChIKeyFDDURZATVPICCW-UHFFFAOYSA-N
XLogP3.27
TPSA77.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-hydroxy-7-pentan-3-ylquinolin-5-yl)methoxy]ethyl 2-methylprop-2-enoate
CID 101414624
3-(8-hydroxyquinolin-5-yl)propyl 2-methylprop-2-enoate
CID 151753034
2-[(8-hydroxyquinolin-5-yl)methoxy]ethyl propanoate
CID 142164952
3-[2-(2-methylprop-2-enoyloxy)ethoxy]pyridine-2-carboxylic acid
CID 140907193
2-(8-hydroxyquinolin-5-yl)ethyl acetate
CID 90678815
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-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-phenoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 21252575
2-[2-[3-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]phenoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 118333861
5-(octoxymethyl)quinolin-8-ol;hydrochloride
CID 46946912
8-nitrosoquinoline-5-sulfonic acid
CID 121342160

Frequently Asked Questions

What is the IUPAC name of 2-[(8-nitrosoquinolin-5-yl)methoxy]ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[(8-nitrosoquinolin-5-yl)methoxy]ethyl 2-methylprop-2-enoate (CID 89140424) is 2-[(8-nitrosoquinolin-5-yl)methoxy]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[(8-nitrosoquinolin-5-yl)methoxy]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[(8-nitrosoquinolin-5-yl)methoxy]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCOCc1ccc(N=O)c2ncccc12.
What is the InChIKey of 2-[(8-nitrosoquinolin-5-yl)methoxy]ethyl 2-methylprop-2-enoate?
The InChIKey is FDDURZATVPICCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-11(2)16(19)22-9-8-21-10-12-5-6-14(18-20)15-13(12)4-3-7-17-15/h3-7H,1,8-10H2,2H3.
What are the key properties of 2-[(8-nitrosoquinolin-5-yl)methoxy]ethyl 2-methylprop-2-enoate?
2-[(8-nitrosoquinolin-5-yl)methoxy]ethyl 2-methylprop-2-enoate has a molecular weight of 300.31 g/mol, XLogP of 3.27, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(8-nitrosoquinolin-5-yl)methoxy]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 89140424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).