methyl 3-(furan-2-yl)-5H-pyrido[4,3-b]indole-4-carboxylate

C17H12N2O3 — CID 135060127

IUPACmethyl 3-(furan-2-yl)-5H-pyrido[4,3-b]indole-4-carboxylate
SMILESCOC(=O)c1c(-c2ccco2)ncc2c1[nH]c1ccccc12
InChIInChI=1S/C17H12N2O3/c1-21-17(20)14-15-11(10-5-2-3-6-12(10)19-15)9-18-16(14)13-7-4-8-22-13/h2-9,19H,1H3
InChIKeyGZXDWNRHMISUFB-UHFFFAOYSA-N
MW292.29 g/mol
LogP3.76
Rot. Bonds2

About methyl 3-(furan-2-yl)-5H-pyrido[4,3-b]indole-4-carboxylate

methyl 3-(furan-2-yl)-5H-pyrido[4,3-b]indole-4-carboxylate (PubChem CID 135060127) has the molecular formula C17H12N2O3 and a molecular weight of 292.29 g/mol. Its IUPAC name is methyl 3-(furan-2-yl)-5H-pyrido[4,3-b]indole-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-(furan-2-yl)-5H-pyrido[4,3-b]indole-4-carboxylate
PubChem CID135060127
Molecular FormulaC17H12N2O3
Molecular Weight292.29 g/mol
Exact Mass292.08
IUPAC Namemethyl 3-(furan-2-yl)-5H-pyrido[4,3-b]indole-4-carboxylate
SMILESCOC(=O)c1c(-c2ccco2)ncc2c1[nH]c1ccccc12
InChIInChI=1S/C17H12N2O3/c1-21-17(20)14-15-11(10-5-2-3-6-12(10)19-15)9-18-16(14)13-7-4-8-22-13/h2-9,19H,1H3
InChIKeyGZXDWNRHMISUFB-UHFFFAOYSA-N
XLogP3.76
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(furan-2-yl)-5H-pyrido[4,3-b]indole-4-carboxylate?
The IUPAC name of methyl 3-(furan-2-yl)-5H-pyrido[4,3-b]indole-4-carboxylate (CID 135060127) is methyl 3-(furan-2-yl)-5H-pyrido[4,3-b]indole-4-carboxylate.
What is the SMILES notation for methyl 3-(furan-2-yl)-5H-pyrido[4,3-b]indole-4-carboxylate?
The canonical SMILES for methyl 3-(furan-2-yl)-5H-pyrido[4,3-b]indole-4-carboxylate is COC(=O)c1c(-c2ccco2)ncc2c1[nH]c1ccccc12.
What is the InChIKey of methyl 3-(furan-2-yl)-5H-pyrido[4,3-b]indole-4-carboxylate?
The InChIKey is GZXDWNRHMISUFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O3/c1-21-17(20)14-15-11(10-5-2-3-6-12(10)19-15)9-18-16(14)13-7-4-8-22-13/h2-9,19H,1H3.
What are the key properties of methyl 3-(furan-2-yl)-5H-pyrido[4,3-b]indole-4-carboxylate?
methyl 3-(furan-2-yl)-5H-pyrido[4,3-b]indole-4-carboxylate has a molecular weight of 292.29 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(furan-2-yl)-5H-pyrido[4,3-b]indole-4-carboxylate is sourced from PubChem (CID 135060127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).