ethyl 4-oxo-7-(2-phenylethyl)furo[2,3-b]pyridine-5-carboxylate

C18H17NO4 — CID 10308508

IUPACethyl 4-oxo-7-(2-phenylethyl)furo[2,3-b]pyridine-5-carboxylate
SMILESCCOC(=O)c1cn(CCc2ccccc2)c2occc2c1=O
InChIInChI=1S/C18H17NO4/c1-2-22-18(21)15-12-19(10-8-13-6-4-3-5-7-13)17-14(16(15)20)9-11-23-17/h3-7,9,11-12H,2,8,10H2,1H3
InChIKeyQWSPOTCJYXYTPT-UHFFFAOYSA-N
MW311.34 g/mol
LogP3.01
Rot. Bonds5

About ethyl 4-oxo-7-(2-phenylethyl)furo[2,3-b]pyridine-5-carboxylate

ethyl 4-oxo-7-(2-phenylethyl)furo[2,3-b]pyridine-5-carboxylate (PubChem CID 10308508) has the molecular formula C18H17NO4 and a molecular weight of 311.34 g/mol. Its IUPAC name is ethyl 4-oxo-7-(2-phenylethyl)furo[2,3-b]pyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-oxo-7-(2-phenylethyl)furo[2,3-b]pyridine-5-carboxylate
PubChem CID10308508
Molecular FormulaC18H17NO4
Molecular Weight311.34 g/mol
Exact Mass311.12
IUPAC Nameethyl 4-oxo-7-(2-phenylethyl)furo[2,3-b]pyridine-5-carboxylate
SMILESCCOC(=O)c1cn(CCc2ccccc2)c2occc2c1=O
InChIInChI=1S/C18H17NO4/c1-2-22-18(21)15-12-19(10-8-13-6-4-3-5-7-13)17-14(16(15)20)9-11-23-17/h3-7,9,11-12H,2,8,10H2,1H3
InChIKeyQWSPOTCJYXYTPT-UHFFFAOYSA-N
XLogP3.01
TPSA61.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 4-oxo-7-(2-phenylethyl)furo[2,3-b]pyridine-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Methyl 5-[benzoyl(pent-4-enyl)amino]furan-2-carboxylate
CID 394464
5-[(4-Fluorophenyl)methyl]-7-methyl-4-oxofuro[2,3-b]pyridine-2-carboxylic acid
CID 22320630
4-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]-7H-furo[2,3-b]pyridine-5-carboxamide
CID 69851052
N-[(3,4-difluorophenyl)methyl]-7-methyl-4-oxofuro[2,3-b]pyridine-5-carboxamide
CID 91370295
Fluoro 7-benzyl-6-methyl-4-oxo-5,6-dihydrofuro[2,3-b]pyridine-5-carboxylate
CID 143124448
Methyl 6-[(2-fluoro-4-iodophenyl)methyl]-5-methyl-4-oxofuro[3,2-c]pyridine-7-carboxylate
CID 158989170
7-O-benzyl 3-O-methyl 5,6-dihydro-4H-furo[2,3-b]pyridine-3,7-dicarboxylate
CID 11056150
Dimethyl 2-phenyl-5-pyrrolidin-1-ylfuran-3,4-dicarboxylate
CID 12440731
7-Methyl-2-phenylfuro[2,3-b]pyridin-4-one
CID 25223352
7-Benzyl-2-phenylfuro[2,3-b]pyridin-4-one
CID 102279558
N-(3-benzoyl-5-ethoxyfuran-2-yl)-N-benzylacetamide
CID 176428466
5-Phenyl-2-piperidylfuran-3-carbaldehyde
CID 3655982

Frequently Asked Questions

What is the IUPAC name of ethyl 4-oxo-7-(2-phenylethyl)furo[2,3-b]pyridine-5-carboxylate?
The IUPAC name of ethyl 4-oxo-7-(2-phenylethyl)furo[2,3-b]pyridine-5-carboxylate (CID 10308508) is ethyl 4-oxo-7-(2-phenylethyl)furo[2,3-b]pyridine-5-carboxylate.
What is the SMILES notation for ethyl 4-oxo-7-(2-phenylethyl)furo[2,3-b]pyridine-5-carboxylate?
The canonical SMILES for ethyl 4-oxo-7-(2-phenylethyl)furo[2,3-b]pyridine-5-carboxylate is CCOC(=O)c1cn(CCc2ccccc2)c2occc2c1=O.
What is the InChIKey of ethyl 4-oxo-7-(2-phenylethyl)furo[2,3-b]pyridine-5-carboxylate?
The InChIKey is QWSPOTCJYXYTPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO4/c1-2-22-18(21)15-12-19(10-8-13-6-4-3-5-7-13)17-14(16(15)20)9-11-23-17/h3-7,9,11-12H,2,8,10H2,1H3.
What are the key properties of ethyl 4-oxo-7-(2-phenylethyl)furo[2,3-b]pyridine-5-carboxylate?
ethyl 4-oxo-7-(2-phenylethyl)furo[2,3-b]pyridine-5-carboxylate has a molecular weight of 311.34 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-oxo-7-(2-phenylethyl)furo[2,3-b]pyridine-5-carboxylate is sourced from PubChem (CID 10308508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).