ethyl 5-methoxy-4-oxo-1-[(4-phenylphenyl)methyl]quinoline-3-carboxylate

C26H23NO4 — CID 71734506

IUPACethyl 5-methoxy-4-oxo-1-[(4-phenylphenyl)methyl]quinoline-3-carboxylate
SMILESCCOC(=O)c1cn(Cc2ccc(-c3ccccc3)cc2)c2cccc(OC)c2c1=O
InChIInChI=1S/C26H23NO4/c1-3-31-26(29)21-17-27(22-10-7-11-23(30-2)24(22)25(21)28)16-18-12-14-20(15-13-18)19-8-5-4-6-9-19/h4-15,17H,3,16H2,1-2H3
InChIKeyZXSYSBRCNCILCY-UHFFFAOYSA-N
MW413.47 g/mol
LogP4.90
Rot. Bonds6

About ethyl 5-methoxy-4-oxo-1-[(4-phenylphenyl)methyl]quinoline-3-carboxylate

ethyl 5-methoxy-4-oxo-1-[(4-phenylphenyl)methyl]quinoline-3-carboxylate (PubChem CID 71734506) has the molecular formula C26H23NO4 and a molecular weight of 413.47 g/mol. Its IUPAC name is ethyl 5-methoxy-4-oxo-1-[(4-phenylphenyl)methyl]quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-methoxy-4-oxo-1-[(4-phenylphenyl)methyl]quinoline-3-carboxylate
PubChem CID71734506
Molecular FormulaC26H23NO4
Molecular Weight413.47 g/mol
Exact Mass413.16
IUPAC Nameethyl 5-methoxy-4-oxo-1-[(4-phenylphenyl)methyl]quinoline-3-carboxylate
SMILESCCOC(=O)c1cn(Cc2ccc(-c3ccccc3)cc2)c2cccc(OC)c2c1=O
InChIInChI=1S/C26H23NO4/c1-3-31-26(29)21-17-27(22-10-7-11-23(30-2)24(22)25(21)28)16-18-12-14-20(15-13-18)19-8-5-4-6-9-19/h4-15,17H,3,16H2,1-2H3
InChIKeyZXSYSBRCNCILCY-UHFFFAOYSA-N
XLogP4.90
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.47
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-methoxy-4-oxo-1-[(4-phenylphenyl)methyl]quinoline-3-carboxylate?
The IUPAC name of ethyl 5-methoxy-4-oxo-1-[(4-phenylphenyl)methyl]quinoline-3-carboxylate (CID 71734506) is ethyl 5-methoxy-4-oxo-1-[(4-phenylphenyl)methyl]quinoline-3-carboxylate.
What is the SMILES notation for ethyl 5-methoxy-4-oxo-1-[(4-phenylphenyl)methyl]quinoline-3-carboxylate?
The canonical SMILES for ethyl 5-methoxy-4-oxo-1-[(4-phenylphenyl)methyl]quinoline-3-carboxylate is CCOC(=O)c1cn(Cc2ccc(-c3ccccc3)cc2)c2cccc(OC)c2c1=O.
What is the InChIKey of ethyl 5-methoxy-4-oxo-1-[(4-phenylphenyl)methyl]quinoline-3-carboxylate?
The InChIKey is ZXSYSBRCNCILCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23NO4/c1-3-31-26(29)21-17-27(22-10-7-11-23(30-2)24(22)25(21)28)16-18-12-14-20(15-13-18)19-8-5-4-6-9-19/h4-15,17H,3,16H2,1-2H3.
What are the key properties of ethyl 5-methoxy-4-oxo-1-[(4-phenylphenyl)methyl]quinoline-3-carboxylate?
ethyl 5-methoxy-4-oxo-1-[(4-phenylphenyl)methyl]quinoline-3-carboxylate has a molecular weight of 413.47 g/mol, XLogP of 4.90, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methoxy-4-oxo-1-[(4-phenylphenyl)methyl]quinoline-3-carboxylate is sourced from PubChem (CID 71734506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).