ethyl 4-[(E)-3-phenylprop-2-enoxy]-1,6-naphthyridine-3-carboxylate

C20H18N2O3 — CID 167867809

IUPACethyl 4-[(E)-3-phenylprop-2-enoxy]-1,6-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cnc2ccncc2c1OC/C=C/c1ccccc1
InChIInChI=1S/C20H18N2O3/c1-2-24-20(23)17-14-22-18-10-11-21-13-16(18)19(17)25-12-6-9-15-7-4-3-5-8-15/h3-11,13-14H,2,12H2,1H3/b9-6+
InChIKeyJDZCWCRWVPMREM-RMKNXTFCSA-N
MW334.38 g/mol
LogP3.90
Rot. Bonds6

About ethyl 4-[(E)-3-phenylprop-2-enoxy]-1,6-naphthyridine-3-carboxylate

ethyl 4-[(E)-3-phenylprop-2-enoxy]-1,6-naphthyridine-3-carboxylate (PubChem CID 167867809) has the molecular formula C20H18N2O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is ethyl 4-[(E)-3-phenylprop-2-enoxy]-1,6-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(E)-3-phenylprop-2-enoxy]-1,6-naphthyridine-3-carboxylate
PubChem CID167867809
Molecular FormulaC20H18N2O3
Molecular Weight334.38 g/mol
Exact Mass334.13
IUPAC Nameethyl 4-[(E)-3-phenylprop-2-enoxy]-1,6-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cnc2ccncc2c1OC/C=C/c1ccccc1
InChIInChI=1S/C20H18N2O3/c1-2-24-20(23)17-14-22-18-10-11-21-13-16(18)19(17)25-12-6-9-15-7-4-3-5-8-15/h3-11,13-14H,2,12H2,1H3/b9-6+
InChIKeyJDZCWCRWVPMREM-RMKNXTFCSA-N
XLogP3.90
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[(E)-2-phenylethenyl]-1H-pyrrolo[3,2-c]pyridine-3-carboxylate
CID 46867743
ethane;ethyl 4-aminoquinoline-3-carboxylate
CID 143157176
ethyl 1-amino-2,7-naphthyridine-4-carboxylate
CID 73425222
[(E)-3-phenylprop-2-enyl] 2-methylbenzoate
CID 15365126
ethyl 6-ethenyl-4-pyridin-4-ylquinoline-3-carboxylate
CID 69104066
ethyl 4-(4-pyridin-4-ylpiperazin-1-yl)quinoline-3-carboxylate
CID 133277711
ethyl 4-benzo[c][2,7]naphthyridin-5-ylpyridine-3-carboxylate
CID 138968210
ethyl 7-[(E)-2-phenylethenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
CID 30465404
ethyl 4-(2-cyanoethylsulfanyl)quinoline-3-carboxylate
CID 57385804
3-phenylprop-2-enyl butanoate;[(E)-3-phenylprop-2-enyl] butanoate
CID 89428693
[(E)-3-phenylprop-2-enyl] 2-methyl-3-oxopentanoate
CID 11086061
ethyl 5,7-dimethyl-6-(3-phenylprop-2-enyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 1480603

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(E)-3-phenylprop-2-enoxy]-1,6-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 4-[(E)-3-phenylprop-2-enoxy]-1,6-naphthyridine-3-carboxylate (CID 167867809) is ethyl 4-[(E)-3-phenylprop-2-enoxy]-1,6-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 4-[(E)-3-phenylprop-2-enoxy]-1,6-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 4-[(E)-3-phenylprop-2-enoxy]-1,6-naphthyridine-3-carboxylate is CCOC(=O)c1cnc2ccncc2c1OC/C=C/c1ccccc1.
What is the InChIKey of ethyl 4-[(E)-3-phenylprop-2-enoxy]-1,6-naphthyridine-3-carboxylate?
The InChIKey is JDZCWCRWVPMREM-RMKNXTFCSA-N. The full InChI is InChI=1S/C20H18N2O3/c1-2-24-20(23)17-14-22-18-10-11-21-13-16(18)19(17)25-12-6-9-15-7-4-3-5-8-15/h3-11,13-14H,2,12H2,1H3/b9-6+.
What are the key properties of ethyl 4-[(E)-3-phenylprop-2-enoxy]-1,6-naphthyridine-3-carboxylate?
ethyl 4-[(E)-3-phenylprop-2-enoxy]-1,6-naphthyridine-3-carboxylate has a molecular weight of 334.38 g/mol, XLogP of 3.90, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(E)-3-phenylprop-2-enoxy]-1,6-naphthyridine-3-carboxylate is sourced from PubChem (CID 167867809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).