ethyl 8-[(4-hydroxyphenyl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate

C18H20N2O3 — CID 15471904

IUPACethyl 8-[(4-hydroxyphenyl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate
SMILESCCOC(=O)N1CCc2cccnc2C1Cc1ccc(O)cc1
InChIInChI=1S/C18H20N2O3/c1-2-23-18(22)20-11-9-14-4-3-10-19-17(14)16(20)12-13-5-7-15(21)8-6-13/h3-8,10,16,21H,2,9,11-12H2,1H3
InChIKeyCWKJSQOTRBRNPX-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.09
Rot. Bonds3

About ethyl 8-[(4-hydroxyphenyl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate

ethyl 8-[(4-hydroxyphenyl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate (PubChem CID 15471904) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is ethyl 8-[(4-hydroxyphenyl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate.

Molecular Properties

Compound Nameethyl 8-[(4-hydroxyphenyl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate
PubChem CID15471904
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Nameethyl 8-[(4-hydroxyphenyl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate
SMILESCCOC(=O)N1CCc2cccnc2C1Cc1ccc(O)cc1
InChIInChI=1S/C18H20N2O3/c1-2-23-18(22)20-11-9-14-4-3-10-19-17(14)16(20)12-13-5-7-15(21)8-6-13/h3-8,10,16,21H,2,9,11-12H2,1H3
InChIKeyCWKJSQOTRBRNPX-UHFFFAOYSA-N
XLogP3.09
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 8-[(4-hydroxyphenyl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate?
The IUPAC name of ethyl 8-[(4-hydroxyphenyl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate (CID 15471904) is ethyl 8-[(4-hydroxyphenyl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate.
What is the SMILES notation for ethyl 8-[(4-hydroxyphenyl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate?
The canonical SMILES for ethyl 8-[(4-hydroxyphenyl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate is CCOC(=O)N1CCc2cccnc2C1Cc1ccc(O)cc1.
What is the InChIKey of ethyl 8-[(4-hydroxyphenyl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate?
The InChIKey is CWKJSQOTRBRNPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-2-23-18(22)20-11-9-14-4-3-10-19-17(14)16(20)12-13-5-7-15(21)8-6-13/h3-8,10,16,21H,2,9,11-12H2,1H3.
What are the key properties of ethyl 8-[(4-hydroxyphenyl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate?
ethyl 8-[(4-hydroxyphenyl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate has a molecular weight of 312.37 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-[(4-hydroxyphenyl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate is sourced from PubChem (CID 15471904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).