methyl 9-(furan-2-ylmethyl)pyrido[2,3-b]indole-3-carboxylate

C18H14N2O3 — CID 127026314

IUPACmethyl 9-(furan-2-ylmethyl)pyrido[2,3-b]indole-3-carboxylate
SMILESCOC(=O)c1cnc2c(c1)c1ccccc1n2Cc1ccco1
InChIInChI=1S/C18H14N2O3/c1-22-18(21)12-9-15-14-6-2-3-7-16(14)20(17(15)19-10-12)11-13-5-4-8-23-13/h2-10H,11H2,1H3
InChIKeyCUEZVEUZKQOZOE-UHFFFAOYSA-N
MW306.32 g/mol
LogP3.62
Rot. Bonds3

About methyl 9-(furan-2-ylmethyl)pyrido[2,3-b]indole-3-carboxylate

methyl 9-(furan-2-ylmethyl)pyrido[2,3-b]indole-3-carboxylate (PubChem CID 127026314) has the molecular formula C18H14N2O3 and a molecular weight of 306.32 g/mol. Its IUPAC name is methyl 9-(furan-2-ylmethyl)pyrido[2,3-b]indole-3-carboxylate.

Molecular Properties

Compound Namemethyl 9-(furan-2-ylmethyl)pyrido[2,3-b]indole-3-carboxylate
PubChem CID127026314
Molecular FormulaC18H14N2O3
Molecular Weight306.32 g/mol
Exact Mass306.10
IUPAC Namemethyl 9-(furan-2-ylmethyl)pyrido[2,3-b]indole-3-carboxylate
SMILESCOC(=O)c1cnc2c(c1)c1ccccc1n2Cc1ccco1
InChIInChI=1S/C18H14N2O3/c1-22-18(21)12-9-15-14-6-2-3-7-16(14)20(17(15)19-10-12)11-13-5-4-8-23-13/h2-10H,11H2,1H3
InChIKeyCUEZVEUZKQOZOE-UHFFFAOYSA-N
XLogP3.62
TPSA57.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 9-(furan-2-ylmethyl)pyrido[2,3-b]indole-3-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 9-(furan-2-ylmethyl)pyrido[2,3-b]indole-3-carboxylate?
The IUPAC name of methyl 9-(furan-2-ylmethyl)pyrido[2,3-b]indole-3-carboxylate (CID 127026314) is methyl 9-(furan-2-ylmethyl)pyrido[2,3-b]indole-3-carboxylate.
What is the SMILES notation for methyl 9-(furan-2-ylmethyl)pyrido[2,3-b]indole-3-carboxylate?
The canonical SMILES for methyl 9-(furan-2-ylmethyl)pyrido[2,3-b]indole-3-carboxylate is COC(=O)c1cnc2c(c1)c1ccccc1n2Cc1ccco1.
What is the InChIKey of methyl 9-(furan-2-ylmethyl)pyrido[2,3-b]indole-3-carboxylate?
The InChIKey is CUEZVEUZKQOZOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O3/c1-22-18(21)12-9-15-14-6-2-3-7-16(14)20(17(15)19-10-12)11-13-5-4-8-23-13/h2-10H,11H2,1H3.
What are the key properties of methyl 9-(furan-2-ylmethyl)pyrido[2,3-b]indole-3-carboxylate?
methyl 9-(furan-2-ylmethyl)pyrido[2,3-b]indole-3-carboxylate has a molecular weight of 306.32 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 9-(furan-2-ylmethyl)pyrido[2,3-b]indole-3-carboxylate is sourced from PubChem (CID 127026314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).