ethyl 7-methyl-4-oxo-6-propoxy-1H-1,8-naphthyridine-3-carboxylate

C15H18N2O4 — CID 19374300

IUPACethyl 7-methyl-4-oxo-6-propoxy-1H-1,8-naphthyridine-3-carboxylate
SMILESCCCOc1cc2c(=O)c(C(=O)OCC)c[nH]c2nc1C
InChIInChI=1S/C15H18N2O4/c1-4-6-21-12-7-10-13(18)11(15(19)20-5-2)8-16-14(10)17-9(12)3/h7-8H,4-6H2,1-3H3,(H,16,17,18)
InChIKeyDWHNFEQNEQKIOW-UHFFFAOYSA-N
MW290.32 g/mol
LogP2.20
Rot. Bonds5

About ethyl 7-methyl-4-oxo-6-propoxy-1H-1,8-naphthyridine-3-carboxylate

ethyl 7-methyl-4-oxo-6-propoxy-1H-1,8-naphthyridine-3-carboxylate (PubChem CID 19374300) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is ethyl 7-methyl-4-oxo-6-propoxy-1H-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 7-methyl-4-oxo-6-propoxy-1H-1,8-naphthyridine-3-carboxylate
PubChem CID19374300
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Nameethyl 7-methyl-4-oxo-6-propoxy-1H-1,8-naphthyridine-3-carboxylate
SMILESCCCOc1cc2c(=O)c(C(=O)OCC)c[nH]c2nc1C
InChIInChI=1S/C15H18N2O4/c1-4-6-21-12-7-10-13(18)11(15(19)20-5-2)8-16-14(10)17-9(12)3/h7-8H,4-6H2,1-3H3,(H,16,17,18)
InChIKeyDWHNFEQNEQKIOW-UHFFFAOYSA-N
XLogP2.20
TPSA81.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-chloro-5-oxo-8H-pyrido[2,3-d]pyrimidine-6-carboxylate
CID 54316935
ethyl 6-ethoxy-4-oxo-1H-1,8-naphthyridine-3-carboxylate
CID 19374333
ethyl 6-dodecoxy-7-methyl-4-oxo-1H-quinoline-3-carboxylate
CID 141170084
methyl 6-iodo-7-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxylate
CID 102941642
ethyl 8-oxo-5H-pyrido[2,3-b]pyrazine-7-carboxylate
CID 16740433
ethyl 2-(dimethylamino)-3-methyl-8-oxo-5H-pyrido[2,3-b]pyrazine-7-carboxylate
CID 134914387
ethyl 7-methyl-6-[2-(2-methylphenoxy)ethoxy]-4-oxo-1H-quinoline-3-carboxylate
CID 46192913
ethyl 6-dodecoxy-4-oxo-7-phenyl-1H-quinoline-3-carboxylate
CID 141212218
ethyl 7-methoxy-6-[2-(2-methylphenyl)ethoxy]-4-oxo-1H-quinoline-3-carboxylate
CID 25105443
ethyl 7-ethyl-4-oxo-6-(2-phenoxyethoxy)-1H-quinoline-3-carboxylate
CID 46192775
ethyl 6-fluoro-4-oxo-7-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]-1H-1,8-naphthyridine-3-carboxylate
CID 20519045
ethyl 7-iodo-6-methoxy-4-oxo-1H-quinoline-3-carboxylate
CID 78358217

Frequently Asked Questions

What is the IUPAC name of ethyl 7-methyl-4-oxo-6-propoxy-1H-1,8-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 7-methyl-4-oxo-6-propoxy-1H-1,8-naphthyridine-3-carboxylate (CID 19374300) is ethyl 7-methyl-4-oxo-6-propoxy-1H-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 7-methyl-4-oxo-6-propoxy-1H-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 7-methyl-4-oxo-6-propoxy-1H-1,8-naphthyridine-3-carboxylate is CCCOc1cc2c(=O)c(C(=O)OCC)c[nH]c2nc1C.
What is the InChIKey of ethyl 7-methyl-4-oxo-6-propoxy-1H-1,8-naphthyridine-3-carboxylate?
The InChIKey is DWHNFEQNEQKIOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-4-6-21-12-7-10-13(18)11(15(19)20-5-2)8-16-14(10)17-9(12)3/h7-8H,4-6H2,1-3H3,(H,16,17,18).
What are the key properties of ethyl 7-methyl-4-oxo-6-propoxy-1H-1,8-naphthyridine-3-carboxylate?
ethyl 7-methyl-4-oxo-6-propoxy-1H-1,8-naphthyridine-3-carboxylate has a molecular weight of 290.32 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-methyl-4-oxo-6-propoxy-1H-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 19374300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).