ethyl 2-[(2-methoxy-7-methylquinolin-3-yl)methylideneamino]acetate

C16H18N2O3 — CID 46938570

IUPACethyl 2-[(2-methoxy-7-methylquinolin-3-yl)methylideneamino]acetate
SMILESCCOC(=O)C/N=C/c1cc2ccc(C)cc2nc1OC
InChIInChI=1S/C16H18N2O3/c1-4-21-15(19)10-17-9-13-8-12-6-5-11(2)7-14(12)18-16(13)20-3/h5-9H,4,10H2,1-3H3/b17-9+
InChIKeyPZUXAYWKEOHDLE-RQZCQDPDSA-N
MW286.33 g/mol
LogP2.53
Rot. Bonds5

About ethyl 2-[(2-methoxy-7-methylquinolin-3-yl)methylideneamino]acetate

ethyl 2-[(2-methoxy-7-methylquinolin-3-yl)methylideneamino]acetate (PubChem CID 46938570) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is ethyl 2-[(2-methoxy-7-methylquinolin-3-yl)methylideneamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(2-methoxy-7-methylquinolin-3-yl)methylideneamino]acetate
PubChem CID46938570
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Nameethyl 2-[(2-methoxy-7-methylquinolin-3-yl)methylideneamino]acetate
SMILESCCOC(=O)C/N=C/c1cc2ccc(C)cc2nc1OC
InChIInChI=1S/C16H18N2O3/c1-4-21-15(19)10-17-9-13-8-12-6-5-11(2)7-14(12)18-16(13)20-3/h5-9H,4,10H2,1-3H3/b17-9+
InChIKeyPZUXAYWKEOHDLE-RQZCQDPDSA-N
XLogP2.53
TPSA60.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-methoxy-7-methylquinolin-3-yl)methylideneamino]acetate?
The IUPAC name of ethyl 2-[(2-methoxy-7-methylquinolin-3-yl)methylideneamino]acetate (CID 46938570) is ethyl 2-[(2-methoxy-7-methylquinolin-3-yl)methylideneamino]acetate.
What is the SMILES notation for ethyl 2-[(2-methoxy-7-methylquinolin-3-yl)methylideneamino]acetate?
The canonical SMILES for ethyl 2-[(2-methoxy-7-methylquinolin-3-yl)methylideneamino]acetate is CCOC(=O)C/N=C/c1cc2ccc(C)cc2nc1OC.
What is the InChIKey of ethyl 2-[(2-methoxy-7-methylquinolin-3-yl)methylideneamino]acetate?
The InChIKey is PZUXAYWKEOHDLE-RQZCQDPDSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-4-21-15(19)10-17-9-13-8-12-6-5-11(2)7-14(12)18-16(13)20-3/h5-9H,4,10H2,1-3H3/b17-9+.
What are the key properties of ethyl 2-[(2-methoxy-7-methylquinolin-3-yl)methylideneamino]acetate?
ethyl 2-[(2-methoxy-7-methylquinolin-3-yl)methylideneamino]acetate has a molecular weight of 286.33 g/mol, XLogP of 2.53, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-methoxy-7-methylquinolin-3-yl)methylideneamino]acetate is sourced from PubChem (CID 46938570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).