ethyl 4-(ethylamino)-[1]benzofuro[3,2-b]pyridine-3-carboxylate

C16H16N2O3 — CID 10660706

IUPACethyl 4-(ethylamino)-[1]benzofuro[3,2-b]pyridine-3-carboxylate
SMILESCCNc1c(C(=O)OCC)cnc2c1oc1ccccc12
InChIInChI=1S/C16H16N2O3/c1-3-17-14-11(16(19)20-4-2)9-18-13-10-7-5-6-8-12(10)21-15(13)14/h5-9H,3-4H2,1-2H3,(H,17,18)
InChIKeyWDIHTPUWEOKROR-UHFFFAOYSA-N
MW284.32 g/mol
LogP3.59
Rot. Bonds4

About ethyl 4-(ethylamino)-[1]benzofuro[3,2-b]pyridine-3-carboxylate

ethyl 4-(ethylamino)-[1]benzofuro[3,2-b]pyridine-3-carboxylate (PubChem CID 10660706) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is ethyl 4-(ethylamino)-[1]benzofuro[3,2-b]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(ethylamino)-[1]benzofuro[3,2-b]pyridine-3-carboxylate
PubChem CID10660706
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC Nameethyl 4-(ethylamino)-[1]benzofuro[3,2-b]pyridine-3-carboxylate
SMILESCCNc1c(C(=O)OCC)cnc2c1oc1ccccc12
InChIInChI=1S/C16H16N2O3/c1-3-17-14-11(16(19)20-4-2)9-18-13-10-7-5-6-8-12(10)21-15(13)14/h5-9H,3-4H2,1-2H3,(H,17,18)
InChIKeyWDIHTPUWEOKROR-UHFFFAOYSA-N
XLogP3.59
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-(methylamino)-[1]benzofuro[3,2-b]pyridine-3-carboxylate
CID 10492258
ethyl 8-chloro-4-(ethylamino)-6-methylquinoline-3-carboxylate
CID 63486779
ethyl 5-chloro-4-(ethylamino)-8-methylquinoline-3-carboxylate
CID 63484840
ethyl 8-chloro-4-(2-phenylethylamino)quinoline-3-carboxylate
CID 1181324
ethyl 8-amino-4-[2-(2-aminophenyl)ethylamino]quinoline-3-carboxylate
CID 10066474
ethyl 4-hydrazinyl-8-iodoquinoline-3-carboxylate
CID 62250848
ethyl dibenzofuran-1-carboxylate
CID 11858911
ethyl 4-anilino-8-chloroquinoline-3-carboxylate
CID 728783
ethyl 4-(2-phenylethylamino)quinoline-3-carboxylate
CID 709117
ethyl 5-bromo-8-chloro-4-(ethylamino)quinoline-3-carboxylate
CID 63486785
ethyl 8-chloro-4-(ethylamino)-6-fluoroquinoline-3-carboxylate
CID 63486784
ethyl 9-oxoxanthene-1-carboxylate
CID 174406406

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(ethylamino)-[1]benzofuro[3,2-b]pyridine-3-carboxylate?
The IUPAC name of ethyl 4-(ethylamino)-[1]benzofuro[3,2-b]pyridine-3-carboxylate (CID 10660706) is ethyl 4-(ethylamino)-[1]benzofuro[3,2-b]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 4-(ethylamino)-[1]benzofuro[3,2-b]pyridine-3-carboxylate?
The canonical SMILES for ethyl 4-(ethylamino)-[1]benzofuro[3,2-b]pyridine-3-carboxylate is CCNc1c(C(=O)OCC)cnc2c1oc1ccccc12.
What is the InChIKey of ethyl 4-(ethylamino)-[1]benzofuro[3,2-b]pyridine-3-carboxylate?
The InChIKey is WDIHTPUWEOKROR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-3-17-14-11(16(19)20-4-2)9-18-13-10-7-5-6-8-12(10)21-15(13)14/h5-9H,3-4H2,1-2H3,(H,17,18).
What are the key properties of ethyl 4-(ethylamino)-[1]benzofuro[3,2-b]pyridine-3-carboxylate?
ethyl 4-(ethylamino)-[1]benzofuro[3,2-b]pyridine-3-carboxylate has a molecular weight of 284.32 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(ethylamino)-[1]benzofuro[3,2-b]pyridine-3-carboxylate is sourced from PubChem (CID 10660706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).