ethyl 4-benzo[c][2,7]naphthyridin-5-ylpyridine-3-carboxylate

C20H15N3O2 — CID 138968210

IUPACethyl 4-benzo[c][2,7]naphthyridin-5-ylpyridine-3-carboxylate
SMILESCCOC(=O)c1cnccc1-c1nc2ccccc2c2ccncc12
InChIInChI=1S/C20H15N3O2/c1-2-25-20(24)17-12-22-10-8-15(17)19-16-11-21-9-7-13(16)14-5-3-4-6-18(14)23-19/h3-12H,2H2,1H3
InChIKeyIXGGRQLSANWGMV-UHFFFAOYSA-N
MW329.36 g/mol
LogP4.02
Rot. Bonds3

About ethyl 4-benzo[c][2,7]naphthyridin-5-ylpyridine-3-carboxylate

ethyl 4-benzo[c][2,7]naphthyridin-5-ylpyridine-3-carboxylate (PubChem CID 138968210) has the molecular formula C20H15N3O2 and a molecular weight of 329.36 g/mol. Its IUPAC name is ethyl 4-benzo[c][2,7]naphthyridin-5-ylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-benzo[c][2,7]naphthyridin-5-ylpyridine-3-carboxylate
PubChem CID138968210
Molecular FormulaC20H15N3O2
Molecular Weight329.36 g/mol
Exact Mass329.12
IUPAC Nameethyl 4-benzo[c][2,7]naphthyridin-5-ylpyridine-3-carboxylate
SMILESCCOC(=O)c1cnccc1-c1nc2ccccc2c2ccncc12
InChIInChI=1S/C20H15N3O2/c1-2-25-20(24)17-12-22-10-8-15(17)19-16-11-21-9-7-13(16)14-5-3-4-6-18(14)23-19/h3-12H,2H2,1H3
InChIKeyIXGGRQLSANWGMV-UHFFFAOYSA-N
XLogP4.02
TPSA64.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-(hydroxymethyl)pyridine-3-carboxylate
CID 112757154
ethyl 1-amino-2,7-naphthyridine-4-carboxylate
CID 73425222
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CID 175398160
2-aminoquinoline-3-carboxylic acid;ethyl 2-aminoquinoline-3-carboxylate
CID 161289500
ethyl 2-(4-methylnaphthalen-1-yl)quinoline-4-carboxylate
CID 91689284
ethane;ethyl 4-aminoquinoline-3-carboxylate
CID 143157176
ethyl 1,6-naphthyridine-8-carboxylate
CID 141265974
ethyl thieno[3,2-c]pyridine-3-carboxylate
CID 68730980
ethyl 4-[(E)-3-phenylprop-2-enoxy]-1,6-naphthyridine-3-carboxylate
CID 167867809
ethyl 5-(2-methylquinolin-4-yl)-1,3,4-oxadiazole-2-carboxylate
CID 115586995
ethyl 3-acridin-9-yl-5-methyl-1,2-oxazole-4-carboxylate
CID 10065337
ethyl chrysene-1-carboxylate
CID 86251232

Frequently Asked Questions

What is the IUPAC name of ethyl 4-benzo[c][2,7]naphthyridin-5-ylpyridine-3-carboxylate?
The IUPAC name of ethyl 4-benzo[c][2,7]naphthyridin-5-ylpyridine-3-carboxylate (CID 138968210) is ethyl 4-benzo[c][2,7]naphthyridin-5-ylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 4-benzo[c][2,7]naphthyridin-5-ylpyridine-3-carboxylate?
The canonical SMILES for ethyl 4-benzo[c][2,7]naphthyridin-5-ylpyridine-3-carboxylate is CCOC(=O)c1cnccc1-c1nc2ccccc2c2ccncc12.
What is the InChIKey of ethyl 4-benzo[c][2,7]naphthyridin-5-ylpyridine-3-carboxylate?
The InChIKey is IXGGRQLSANWGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O2/c1-2-25-20(24)17-12-22-10-8-15(17)19-16-11-21-9-7-13(16)14-5-3-4-6-18(14)23-19/h3-12H,2H2,1H3.
What are the key properties of ethyl 4-benzo[c][2,7]naphthyridin-5-ylpyridine-3-carboxylate?
ethyl 4-benzo[c][2,7]naphthyridin-5-ylpyridine-3-carboxylate has a molecular weight of 329.36 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-benzo[c][2,7]naphthyridin-5-ylpyridine-3-carboxylate is sourced from PubChem (CID 138968210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).