ethyl 3-(2-chloro-4-methylanilino)furo[3,2-c]pyridine-2-carboxylate

C17H15ClN2O3 — CID 143636100

IUPACethyl 3-(2-chloro-4-methylanilino)furo[3,2-c]pyridine-2-carboxylate
SMILESCCOC(=O)c1oc2ccncc2c1Nc1ccc(C)cc1Cl
InChIInChI=1S/C17H15ClN2O3/c1-3-22-17(21)16-15(11-9-19-7-6-14(11)23-16)20-13-5-4-10(2)8-12(13)18/h4-9,20H,3H2,1-2H3
InChIKeyCEHAYRRBDIJMMQ-UHFFFAOYSA-N
MW330.77 g/mol
LogP4.71
Rot. Bonds4

About ethyl 3-(2-chloro-4-methylanilino)furo[3,2-c]pyridine-2-carboxylate

ethyl 3-(2-chloro-4-methylanilino)furo[3,2-c]pyridine-2-carboxylate (PubChem CID 143636100) has the molecular formula C17H15ClN2O3 and a molecular weight of 330.77 g/mol. Its IUPAC name is ethyl 3-(2-chloro-4-methylanilino)furo[3,2-c]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-(2-chloro-4-methylanilino)furo[3,2-c]pyridine-2-carboxylate
PubChem CID143636100
Molecular FormulaC17H15ClN2O3
Molecular Weight330.77 g/mol
Exact Mass330.08
IUPAC Nameethyl 3-(2-chloro-4-methylanilino)furo[3,2-c]pyridine-2-carboxylate
SMILESCCOC(=O)c1oc2ccncc2c1Nc1ccc(C)cc1Cl
InChIInChI=1S/C17H15ClN2O3/c1-3-22-17(21)16-15(11-9-19-7-6-14(11)23-16)20-13-5-4-10(2)8-12(13)18/h4-9,20H,3H2,1-2H3
InChIKeyCEHAYRRBDIJMMQ-UHFFFAOYSA-N
XLogP4.71
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.77
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 3-(2-chloro-4-methylanilino)furo[3,2-c]pyridine-2-carboxylate with MolForge

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Related Compounds

ethane;ethyl 3-(4-methylanilino)furo[3,2-c]pyridine-2-carboxylate
CID 143636254
CID 88885978
CID 88885978
3-(2-chloro-4-methylsulfanylanilino)-N-(2-hydroxyethoxy)furo[3,2-c]pyridine-2-carboxamide
CID 59704653
ethane;ethyl 3-(2-fluoro-4-methylphenoxy)furo[3,2-c]pyridine-2-carboxylate
CID 143636039
ethyl 3-(naphthalen-1-ylamino)furo[2,3-c]pyridine-2-carboxylate
CID 58826947
ethane;ethyl 3-(2-fluoro-4-methylanilino)-7-methylfuro[3,2-c]pyridine-2-carboxylate
CID 143636271
ethane;3-(2-fluoro-4-methylanilino)-N-(2-hydroxypropoxy)furo[3,2-c]pyridine-2-carboxamide
CID 143636209
ethane;3-(2-fluoro-4-methylanilino)furo[3,2-c]pyridine-2-carboxamide;2-methylpropane-1,2-diol
CID 143636167
ethane;3-(2-fluoro-4-methylanilino)-N-(2-hydroxyethyl)furo[3,2-c]pyridine-2-carboxamide
CID 143636022
3-(4-methylanilino)furo[3,2-c]pyridine-2-carboxamide
CID 143636123
N-(2,3-dihydroxypropyl)-3-(2-fluoro-4-methylanilino)furo[3,2-c]pyridine-2-carboxamide;ethane
CID 143636219
ethyl 3-(4-bromo-2-chloroanilino)-4-ethenyl-5-methylfuran-2-carboxylate
CID 163907489

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-chloro-4-methylanilino)furo[3,2-c]pyridine-2-carboxylate?
The IUPAC name of ethyl 3-(2-chloro-4-methylanilino)furo[3,2-c]pyridine-2-carboxylate (CID 143636100) is ethyl 3-(2-chloro-4-methylanilino)furo[3,2-c]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 3-(2-chloro-4-methylanilino)furo[3,2-c]pyridine-2-carboxylate?
The canonical SMILES for ethyl 3-(2-chloro-4-methylanilino)furo[3,2-c]pyridine-2-carboxylate is CCOC(=O)c1oc2ccncc2c1Nc1ccc(C)cc1Cl.
What is the InChIKey of ethyl 3-(2-chloro-4-methylanilino)furo[3,2-c]pyridine-2-carboxylate?
The InChIKey is CEHAYRRBDIJMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O3/c1-3-22-17(21)16-15(11-9-19-7-6-14(11)23-16)20-13-5-4-10(2)8-12(13)18/h4-9,20H,3H2,1-2H3.
What are the key properties of ethyl 3-(2-chloro-4-methylanilino)furo[3,2-c]pyridine-2-carboxylate?
ethyl 3-(2-chloro-4-methylanilino)furo[3,2-c]pyridine-2-carboxylate has a molecular weight of 330.77 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-chloro-4-methylanilino)furo[3,2-c]pyridine-2-carboxylate is sourced from PubChem (CID 143636100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).