ethyl formate;6-methoxy-4-phenylquinoline

C19H19NO3 — CID 161481993

IUPACethyl formate;6-methoxy-4-phenylquinoline
SMILESCCOC=O.COc1ccc2nccc(-c3ccccc3)c2c1
InChIInChI=1S/C16H13NO.C3H6O2/c1-18-13-7-8-16-15(11-13)14(9-10-17-16)12-5-3-2-4-6-12;1-2-5-3-4/h2-11H,1H3;3H,2H2,1H3
InChIKeyWEMGILJOQUDGJA-UHFFFAOYSA-N
MW309.37 g/mol
LogP4.09
Rot. Bonds4

About ethyl formate;6-methoxy-4-phenylquinoline

ethyl formate;6-methoxy-4-phenylquinoline (PubChem CID 161481993) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is ethyl formate;6-methoxy-4-phenylquinoline.

Molecular Properties

Compound Nameethyl formate;6-methoxy-4-phenylquinoline
PubChem CID161481993
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Nameethyl formate;6-methoxy-4-phenylquinoline
SMILESCCOC=O.COc1ccc2nccc(-c3ccccc3)c2c1
InChIInChI=1S/C16H13NO.C3H6O2/c1-18-13-7-8-16-15(11-13)14(9-10-17-16)12-5-3-2-4-6-12;1-2-5-3-4/h2-11H,1H3;3H,2H2,1H3
InChIKeyWEMGILJOQUDGJA-UHFFFAOYSA-N
XLogP4.09
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl formate;6-methoxy-4-phenylquinoline?
The IUPAC name of ethyl formate;6-methoxy-4-phenylquinoline (CID 161481993) is ethyl formate;6-methoxy-4-phenylquinoline.
What is the SMILES notation for ethyl formate;6-methoxy-4-phenylquinoline?
The canonical SMILES for ethyl formate;6-methoxy-4-phenylquinoline is CCOC=O.COc1ccc2nccc(-c3ccccc3)c2c1.
What is the InChIKey of ethyl formate;6-methoxy-4-phenylquinoline?
The InChIKey is WEMGILJOQUDGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO.C3H6O2/c1-18-13-7-8-16-15(11-13)14(9-10-17-16)12-5-3-2-4-6-12;1-2-5-3-4/h2-11H,1H3;3H,2H2,1H3.
What are the key properties of ethyl formate;6-methoxy-4-phenylquinoline?
ethyl formate;6-methoxy-4-phenylquinoline has a molecular weight of 309.37 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl formate;6-methoxy-4-phenylquinoline is sourced from PubChem (CID 161481993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).