ethyl 4-oxo-6-phenylmethoxy-1H-1,5-naphthyridine-3-carboxylate

C18H16N2O4 — CID 561266

IUPACethyl 4-oxo-6-phenylmethoxy-1H-1,5-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1c[nH]c2ccc(OCc3ccccc3)nc2c1=O
InChIInChI=1S/C18H16N2O4/c1-2-23-18(22)13-10-19-14-8-9-15(20-16(14)17(13)21)24-11-12-6-4-3-5-7-12/h3-10H,2,11H2,1H3,(H,19,21)
InChIKeySDRMQQRSXUYWGM-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.68
Rot. Bonds5

About ethyl 4-oxo-6-phenylmethoxy-1H-1,5-naphthyridine-3-carboxylate

ethyl 4-oxo-6-phenylmethoxy-1H-1,5-naphthyridine-3-carboxylate (PubChem CID 561266) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is ethyl 4-oxo-6-phenylmethoxy-1H-1,5-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-oxo-6-phenylmethoxy-1H-1,5-naphthyridine-3-carboxylate
PubChem CID561266
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC Nameethyl 4-oxo-6-phenylmethoxy-1H-1,5-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1c[nH]c2ccc(OCc3ccccc3)nc2c1=O
InChIInChI=1S/C18H16N2O4/c1-2-23-18(22)13-10-19-14-8-9-15(20-16(14)17(13)21)24-11-12-6-4-3-5-7-12/h3-10H,2,11H2,1H3,(H,19,21)
InChIKeySDRMQQRSXUYWGM-UHFFFAOYSA-N
XLogP2.68
TPSA81.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

diethyl 4-oxo-3-phenylmethoxy-1H-pyridine-2,5-dicarboxylate
CID 129086322
6-butoxy-4-oxo-1H-1,5-naphthyridine-3-carboxylic acid
CID 604825
ethyl 8-methoxy-4-oxo-6-phenylmethoxy-1H-quinoline-3-carboxylate
CID 19914495
ethyl 6-fluoro-4-oxo-8-phenylmethoxy-1H-quinoline-3-carboxylate
CID 10382679
ethyl 8-oxo-5H-pyrido[2,3-b]pyrazine-7-carboxylate
CID 16740433
ethyl 8-bromo-4-oxo-1H-1,5-naphthyridine-3-carboxylate
CID 123135674
ethyl 6-chloro-1-(7-ethoxycarbonyl-8-oxo-5H-1,5-naphthyridin-2-yl)-4-oxo-1,5-naphthyridine-3-carboxylate
CID 164852686
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-6-ethoxy-4-oxo-1H-1,5-naphthyridine-3-carboxamide;hydrochloride
CID 10112640
ethyl 7-methyl-6-[2-(2-methylphenoxy)ethoxy]-4-oxo-1H-quinoline-3-carboxylate
CID 46192913
4-methyl-6-phenylmethoxy-1,5-naphthyridine-3-carboxamide
CID 71152977
ethyl 5-methyl-1-(4-phenylmethoxypyrimidin-2-yl)pyrazole-4-carboxylate
CID 70030924
2,3-diiodo-5-phenylmethoxy-1H-pyrrolo[3,2-b]pyridine
CID 135062928

Frequently Asked Questions

What is the IUPAC name of ethyl 4-oxo-6-phenylmethoxy-1H-1,5-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 4-oxo-6-phenylmethoxy-1H-1,5-naphthyridine-3-carboxylate (CID 561266) is ethyl 4-oxo-6-phenylmethoxy-1H-1,5-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 4-oxo-6-phenylmethoxy-1H-1,5-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 4-oxo-6-phenylmethoxy-1H-1,5-naphthyridine-3-carboxylate is CCOC(=O)c1c[nH]c2ccc(OCc3ccccc3)nc2c1=O.
What is the InChIKey of ethyl 4-oxo-6-phenylmethoxy-1H-1,5-naphthyridine-3-carboxylate?
The InChIKey is SDRMQQRSXUYWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4/c1-2-23-18(22)13-10-19-14-8-9-15(20-16(14)17(13)21)24-11-12-6-4-3-5-7-12/h3-10H,2,11H2,1H3,(H,19,21).
What are the key properties of ethyl 4-oxo-6-phenylmethoxy-1H-1,5-naphthyridine-3-carboxylate?
ethyl 4-oxo-6-phenylmethoxy-1H-1,5-naphthyridine-3-carboxylate has a molecular weight of 324.34 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-oxo-6-phenylmethoxy-1H-1,5-naphthyridine-3-carboxylate is sourced from PubChem (CID 561266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).