ethyl 4-(2-methoxyphenyl)-2-methyl-5-oxo-6,7-diphenyl-1,4-dihydro-1,6-naphthyridine-3-carboxylate

C31H28N2O4 — CID 20559736

IUPACethyl 4-(2-methoxyphenyl)-2-methyl-5-oxo-6,7-diphenyl-1,4-dihydro-1,6-naphthyridine-3-carboxylate
SMILESCCOC(=O)C1=C(C)Nc2cc(-c3ccccc3)n(-c3ccccc3)c(=O)c2C1c1ccccc1OC
InChIInChI=1S/C31H28N2O4/c1-4-37-31(35)27-20(2)32-24-19-25(21-13-7-5-8-14-21)33(22-15-9-6-10-16-22)30(34)29(24)28(27)23-17-11-12-18-26(23)36-3/h5-19,28,32H,4H2,1-3H3
InChIKeyYBWYARLUJYIOJF-UHFFFAOYSA-N
MW492.58 g/mol
LogP5.91
Rot. Bonds6

About ethyl 4-(2-methoxyphenyl)-2-methyl-5-oxo-6,7-diphenyl-1,4-dihydro-1,6-naphthyridine-3-carboxylate

ethyl 4-(2-methoxyphenyl)-2-methyl-5-oxo-6,7-diphenyl-1,4-dihydro-1,6-naphthyridine-3-carboxylate (PubChem CID 20559736) has the molecular formula C31H28N2O4 and a molecular weight of 492.58 g/mol. Its IUPAC name is ethyl 4-(2-methoxyphenyl)-2-methyl-5-oxo-6,7-diphenyl-1,4-dihydro-1,6-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2-methoxyphenyl)-2-methyl-5-oxo-6,7-diphenyl-1,4-dihydro-1,6-naphthyridine-3-carboxylate
PubChem CID20559736
Molecular FormulaC31H28N2O4
Molecular Weight492.58 g/mol
Exact Mass492.20
IUPAC Nameethyl 4-(2-methoxyphenyl)-2-methyl-5-oxo-6,7-diphenyl-1,4-dihydro-1,6-naphthyridine-3-carboxylate
SMILESCCOC(=O)C1=C(C)Nc2cc(-c3ccccc3)n(-c3ccccc3)c(=O)c2C1c1ccccc1OC
InChIInChI=1S/C31H28N2O4/c1-4-37-31(35)27-20(2)32-24-19-25(21-13-7-5-8-14-21)33(22-15-9-6-10-16-22)30(34)29(24)28(27)23-17-11-12-18-26(23)36-3/h5-19,28,32H,4H2,1-3H3
InChIKeyYBWYARLUJYIOJF-UHFFFAOYSA-N
XLogP5.91
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.58
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 4-(2-methoxyphenyl)-2-methyl-5-oxo-6,7-diphenyl-1,4-dihydro-1,6-naphthyridine-3-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-methoxyphenyl)-2-methyl-5-oxo-6,7-diphenyl-1,4-dihydro-1,6-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 4-(2-methoxyphenyl)-2-methyl-5-oxo-6,7-diphenyl-1,4-dihydro-1,6-naphthyridine-3-carboxylate (CID 20559736) is ethyl 4-(2-methoxyphenyl)-2-methyl-5-oxo-6,7-diphenyl-1,4-dihydro-1,6-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 4-(2-methoxyphenyl)-2-methyl-5-oxo-6,7-diphenyl-1,4-dihydro-1,6-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 4-(2-methoxyphenyl)-2-methyl-5-oxo-6,7-diphenyl-1,4-dihydro-1,6-naphthyridine-3-carboxylate is CCOC(=O)C1=C(C)Nc2cc(-c3ccccc3)n(-c3ccccc3)c(=O)c2C1c1ccccc1OC.
What is the InChIKey of ethyl 4-(2-methoxyphenyl)-2-methyl-5-oxo-6,7-diphenyl-1,4-dihydro-1,6-naphthyridine-3-carboxylate?
The InChIKey is YBWYARLUJYIOJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28N2O4/c1-4-37-31(35)27-20(2)32-24-19-25(21-13-7-5-8-14-21)33(22-15-9-6-10-16-22)30(34)29(24)28(27)23-17-11-12-18-26(23)36-3/h5-19,28,32H,4H2,1-3H3.
What are the key properties of ethyl 4-(2-methoxyphenyl)-2-methyl-5-oxo-6,7-diphenyl-1,4-dihydro-1,6-naphthyridine-3-carboxylate?
ethyl 4-(2-methoxyphenyl)-2-methyl-5-oxo-6,7-diphenyl-1,4-dihydro-1,6-naphthyridine-3-carboxylate has a molecular weight of 492.58 g/mol, XLogP of 5.91, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-methoxyphenyl)-2-methyl-5-oxo-6,7-diphenyl-1,4-dihydro-1,6-naphthyridine-3-carboxylate is sourced from PubChem (CID 20559736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).