ethyl 5,6,7-trimethyl-8-phosphanylquinoline-3-carboxylate

C15H18NO2P — CID 129276355

IUPACethyl 5,6,7-trimethyl-8-phosphanylquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(P)c(C)c(C)c(C)c2c1
InChIInChI=1S/C15H18NO2P/c1-5-18-15(17)11-6-12-9(3)8(2)10(4)14(19)13(12)16-7-11/h6-7H,5,19H2,1-4H3
InChIKeyABJOFEONYUUFMB-UHFFFAOYSA-N
MW275.29 g/mol
LogP2.84
Rot. Bonds2

About ethyl 5,6,7-trimethyl-8-phosphanylquinoline-3-carboxylate

ethyl 5,6,7-trimethyl-8-phosphanylquinoline-3-carboxylate (PubChem CID 129276355) has the molecular formula C15H18NO2P and a molecular weight of 275.29 g/mol. Its IUPAC name is ethyl 5,6,7-trimethyl-8-phosphanylquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 5,6,7-trimethyl-8-phosphanylquinoline-3-carboxylate
PubChem CID129276355
Molecular FormulaC15H18NO2P
Molecular Weight275.29 g/mol
Exact Mass275.11
IUPAC Nameethyl 5,6,7-trimethyl-8-phosphanylquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(P)c(C)c(C)c(C)c2c1
InChIInChI=1S/C15H18NO2P/c1-5-18-15(17)11-6-12-9(3)8(2)10(4)14(19)13(12)16-7-11/h6-7H,5,19H2,1-4H3
InChIKeyABJOFEONYUUFMB-UHFFFAOYSA-N
XLogP2.84
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.29
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2,3-dimethylthieno[2,3-b]pyridine-5-carboxylate
CID 140979555
ethyl 5-hydroxy-6-methylpyridine-3-carboxylate
CID 15619972
ethyl 5-hydroxyquinoline-3-carboxylate
CID 135618214
ethyl 6-amino-5-iodopyridine-3-carboxylate
CID 67057368
ethyl 5-(aminomethyl)-6-methylpyridine-3-carboxylate
CID 118366162
ethyl 3-bromofuro[2,3-b]pyridine-5-carboxylate
CID 68663627
ethyl 8-ethoxyquinoline-3-carboxylate
CID 122362443
ethyl 8-fluoroquinoline-3-carboxylate
CID 15525332
ethyl 3-bromo-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxylate
CID 162358895
ethane;ethyl 5-ethylpyridine-3-carboxylate
CID 143600657
ethyl 8-methoxy-1,5-naphthyridine-3-carboxylate
CID 59256763
ethyl 6-(dimethylamino)quinoline-3-carboxylate
CID 150996261

Frequently Asked Questions

What is the IUPAC name of ethyl 5,6,7-trimethyl-8-phosphanylquinoline-3-carboxylate?
The IUPAC name of ethyl 5,6,7-trimethyl-8-phosphanylquinoline-3-carboxylate (CID 129276355) is ethyl 5,6,7-trimethyl-8-phosphanylquinoline-3-carboxylate.
What is the SMILES notation for ethyl 5,6,7-trimethyl-8-phosphanylquinoline-3-carboxylate?
The canonical SMILES for ethyl 5,6,7-trimethyl-8-phosphanylquinoline-3-carboxylate is CCOC(=O)c1cnc2c(P)c(C)c(C)c(C)c2c1.
What is the InChIKey of ethyl 5,6,7-trimethyl-8-phosphanylquinoline-3-carboxylate?
The InChIKey is ABJOFEONYUUFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18NO2P/c1-5-18-15(17)11-6-12-9(3)8(2)10(4)14(19)13(12)16-7-11/h6-7H,5,19H2,1-4H3.
What are the key properties of ethyl 5,6,7-trimethyl-8-phosphanylquinoline-3-carboxylate?
ethyl 5,6,7-trimethyl-8-phosphanylquinoline-3-carboxylate has a molecular weight of 275.29 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5,6,7-trimethyl-8-phosphanylquinoline-3-carboxylate is sourced from PubChem (CID 129276355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).