methyl 1-(furan-2-yl)-4-methyl-9H-pyrido[3,4-b]indole-3-carboxylate

C18H14N2O3 — CID 14284076

IUPACmethyl 1-(furan-2-yl)-4-methyl-9H-pyrido[3,4-b]indole-3-carboxylate
SMILESCOC(=O)c1nc(-c2ccco2)c2[nH]c3ccccc3c2c1C
InChIInChI=1S/C18H14N2O3/c1-10-14-11-6-3-4-7-12(11)19-17(14)16(13-8-5-9-23-13)20-15(10)18(21)22-2/h3-9,19H,1-2H3
InChIKeyJCTDQYQBOFJFDP-UHFFFAOYSA-N
MW306.32 g/mol
LogP4.07
Rot. Bonds2

About methyl 1-(furan-2-yl)-4-methyl-9H-pyrido[3,4-b]indole-3-carboxylate

methyl 1-(furan-2-yl)-4-methyl-9H-pyrido[3,4-b]indole-3-carboxylate (PubChem CID 14284076) has the molecular formula C18H14N2O3 and a molecular weight of 306.32 g/mol. Its IUPAC name is methyl 1-(furan-2-yl)-4-methyl-9H-pyrido[3,4-b]indole-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(furan-2-yl)-4-methyl-9H-pyrido[3,4-b]indole-3-carboxylate
PubChem CID14284076
Molecular FormulaC18H14N2O3
Molecular Weight306.32 g/mol
Exact Mass306.10
IUPAC Namemethyl 1-(furan-2-yl)-4-methyl-9H-pyrido[3,4-b]indole-3-carboxylate
SMILESCOC(=O)c1nc(-c2ccco2)c2[nH]c3ccccc3c2c1C
InChIInChI=1S/C18H14N2O3/c1-10-14-11-6-3-4-7-12(11)19-17(14)16(13-8-5-9-23-13)20-15(10)18(21)22-2/h3-9,19H,1-2H3
InChIKeyJCTDQYQBOFJFDP-UHFFFAOYSA-N
XLogP4.07
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-(7-amino-5,8-dioxoquinolin-2-yl)-4-methyl-9H-pyrido[3,4-b]indole-3-carboxylate
CID 10093081
methyl 3-(furan-2-yl)-5H-pyrido[4,3-b]indole-4-carboxylate
CID 135060127
methyl 4-methyl-5H-pyrido[4,3-b]indole-1-carboxylate
CID 13351962
dimethyl 4-methyl-9H-carbazole-1,3-dicarboxylate
CID 132503759
methyl 3-methyl-4-phenyl-5H-pyrido[4,3-b]indole-1-carboxylate
CID 13351963
diethyl 4-methyl-5H-pyrido[4,3-b]indole-1,3-dicarboxylate
CID 102268938
methyl 5-(furan-2-yl)-2-methyl-1,3-thiazole-4-carboxylate
CID 53271156
methyl 3-amino-5-(azepan-1-yl)-6-(furan-2-yl)pyrazine-2-carboxylate
CID 142340106
1-O-ethyl 3-O-methyl 9H-pyrido[3,4-b]indole-1,3-dicarboxylate
CID 102040877
methyl 4-(furan-2-yl)-7-methoxy-2H-indazole-3-carboxylate
CID 168527751
dimethyl 4-(furan-2-yl)-1,2-oxazole-3,5-dicarboxylate
CID 121005993
methyl 2-oxo-10,21-diazapentacyclo[12.7.0.03,11.04,9.015,20]henicosa-1(14),3(11),4,6,8,12,15,17,19-nonaene-12-carboxylate
CID 10593388

Frequently Asked Questions

What is the IUPAC name of methyl 1-(furan-2-yl)-4-methyl-9H-pyrido[3,4-b]indole-3-carboxylate?
The IUPAC name of methyl 1-(furan-2-yl)-4-methyl-9H-pyrido[3,4-b]indole-3-carboxylate (CID 14284076) is methyl 1-(furan-2-yl)-4-methyl-9H-pyrido[3,4-b]indole-3-carboxylate.
What is the SMILES notation for methyl 1-(furan-2-yl)-4-methyl-9H-pyrido[3,4-b]indole-3-carboxylate?
The canonical SMILES for methyl 1-(furan-2-yl)-4-methyl-9H-pyrido[3,4-b]indole-3-carboxylate is COC(=O)c1nc(-c2ccco2)c2[nH]c3ccccc3c2c1C.
What is the InChIKey of methyl 1-(furan-2-yl)-4-methyl-9H-pyrido[3,4-b]indole-3-carboxylate?
The InChIKey is JCTDQYQBOFJFDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O3/c1-10-14-11-6-3-4-7-12(11)19-17(14)16(13-8-5-9-23-13)20-15(10)18(21)22-2/h3-9,19H,1-2H3.
What are the key properties of methyl 1-(furan-2-yl)-4-methyl-9H-pyrido[3,4-b]indole-3-carboxylate?
methyl 1-(furan-2-yl)-4-methyl-9H-pyrido[3,4-b]indole-3-carboxylate has a molecular weight of 306.32 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(furan-2-yl)-4-methyl-9H-pyrido[3,4-b]indole-3-carboxylate is sourced from PubChem (CID 14284076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).