ethyl 9-(4-fluorophenyl)pyrido[3,4-b]indole-3-carboxylate

C20H15FN2O2 — CID 46907523

IUPACethyl 9-(4-fluorophenyl)pyrido[3,4-b]indole-3-carboxylate
SMILESCCOC(=O)c1cc2c3ccccc3n(-c3ccc(F)cc3)c2cn1
InChIInChI=1S/C20H15FN2O2/c1-2-25-20(24)17-11-16-15-5-3-4-6-18(15)23(19(16)12-22-17)14-9-7-13(21)8-10-14/h3-12H,2H2,1H3
InChIKeyFPXROIJNYGGNAG-UHFFFAOYSA-N
MW334.35 g/mol
LogP4.49
Rot. Bonds3

About ethyl 9-(4-fluorophenyl)pyrido[3,4-b]indole-3-carboxylate

ethyl 9-(4-fluorophenyl)pyrido[3,4-b]indole-3-carboxylate (PubChem CID 46907523) has the molecular formula C20H15FN2O2 and a molecular weight of 334.35 g/mol. Its IUPAC name is ethyl 9-(4-fluorophenyl)pyrido[3,4-b]indole-3-carboxylate.

Molecular Properties

Compound Nameethyl 9-(4-fluorophenyl)pyrido[3,4-b]indole-3-carboxylate
PubChem CID46907523
Molecular FormulaC20H15FN2O2
Molecular Weight334.35 g/mol
Exact Mass334.11
IUPAC Nameethyl 9-(4-fluorophenyl)pyrido[3,4-b]indole-3-carboxylate
SMILESCCOC(=O)c1cc2c3ccccc3n(-c3ccc(F)cc3)c2cn1
InChIInChI=1S/C20H15FN2O2/c1-2-25-20(24)17-11-16-15-5-3-4-6-18(15)23(19(16)12-22-17)14-9-7-13(21)8-10-14/h3-12H,2H2,1H3
InChIKeyFPXROIJNYGGNAG-UHFFFAOYSA-N
XLogP4.49
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 9-(4-fluorophenyl)pyrido[3,4-b]indole-3-carboxylate?
The IUPAC name of ethyl 9-(4-fluorophenyl)pyrido[3,4-b]indole-3-carboxylate (CID 46907523) is ethyl 9-(4-fluorophenyl)pyrido[3,4-b]indole-3-carboxylate.
What is the SMILES notation for ethyl 9-(4-fluorophenyl)pyrido[3,4-b]indole-3-carboxylate?
The canonical SMILES for ethyl 9-(4-fluorophenyl)pyrido[3,4-b]indole-3-carboxylate is CCOC(=O)c1cc2c3ccccc3n(-c3ccc(F)cc3)c2cn1.
What is the InChIKey of ethyl 9-(4-fluorophenyl)pyrido[3,4-b]indole-3-carboxylate?
The InChIKey is FPXROIJNYGGNAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN2O2/c1-2-25-20(24)17-11-16-15-5-3-4-6-18(15)23(19(16)12-22-17)14-9-7-13(21)8-10-14/h3-12H,2H2,1H3.
What are the key properties of ethyl 9-(4-fluorophenyl)pyrido[3,4-b]indole-3-carboxylate?
ethyl 9-(4-fluorophenyl)pyrido[3,4-b]indole-3-carboxylate has a molecular weight of 334.35 g/mol, XLogP of 4.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 9-(4-fluorophenyl)pyrido[3,4-b]indole-3-carboxylate is sourced from PubChem (CID 46907523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).