ethyl 4-(4-fluorophenyl)-5-methylpyrido[3,2-b]indole-2-carboxylate

C21H17FN2O2 — CID 166440716

IUPACethyl 4-(4-fluorophenyl)-5-methylpyrido[3,2-b]indole-2-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(F)cc2)c2c(n1)c1ccccc1n2C
InChIInChI=1S/C21H17FN2O2/c1-3-26-21(25)17-12-16(13-8-10-14(22)11-9-13)20-19(23-17)15-6-4-5-7-18(15)24(20)2/h4-12H,3H2,1-2H3
InChIKeyKKZBBYBEKAYYIO-UHFFFAOYSA-N
MW348.38 g/mol
LogP4.71
Rot. Bonds3

About ethyl 4-(4-fluorophenyl)-5-methylpyrido[3,2-b]indole-2-carboxylate

ethyl 4-(4-fluorophenyl)-5-methylpyrido[3,2-b]indole-2-carboxylate (PubChem CID 166440716) has the molecular formula C21H17FN2O2 and a molecular weight of 348.38 g/mol. Its IUPAC name is ethyl 4-(4-fluorophenyl)-5-methylpyrido[3,2-b]indole-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-fluorophenyl)-5-methylpyrido[3,2-b]indole-2-carboxylate
PubChem CID166440716
Molecular FormulaC21H17FN2O2
Molecular Weight348.38 g/mol
Exact Mass348.13
IUPAC Nameethyl 4-(4-fluorophenyl)-5-methylpyrido[3,2-b]indole-2-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(F)cc2)c2c(n1)c1ccccc1n2C
InChIInChI=1S/C21H17FN2O2/c1-3-26-21(25)17-12-16(13-8-10-14(22)11-9-13)20-19(23-17)15-6-4-5-7-18(15)24(20)2/h4-12H,3H2,1-2H3
InChIKeyKKZBBYBEKAYYIO-UHFFFAOYSA-N
XLogP4.71
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-fluorophenyl)-5-methylpyrido[3,2-b]indole-2-carboxylate?
The IUPAC name of ethyl 4-(4-fluorophenyl)-5-methylpyrido[3,2-b]indole-2-carboxylate (CID 166440716) is ethyl 4-(4-fluorophenyl)-5-methylpyrido[3,2-b]indole-2-carboxylate.
What is the SMILES notation for ethyl 4-(4-fluorophenyl)-5-methylpyrido[3,2-b]indole-2-carboxylate?
The canonical SMILES for ethyl 4-(4-fluorophenyl)-5-methylpyrido[3,2-b]indole-2-carboxylate is CCOC(=O)c1cc(-c2ccc(F)cc2)c2c(n1)c1ccccc1n2C.
What is the InChIKey of ethyl 4-(4-fluorophenyl)-5-methylpyrido[3,2-b]indole-2-carboxylate?
The InChIKey is KKZBBYBEKAYYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN2O2/c1-3-26-21(25)17-12-16(13-8-10-14(22)11-9-13)20-19(23-17)15-6-4-5-7-18(15)24(20)2/h4-12H,3H2,1-2H3.
What are the key properties of ethyl 4-(4-fluorophenyl)-5-methylpyrido[3,2-b]indole-2-carboxylate?
ethyl 4-(4-fluorophenyl)-5-methylpyrido[3,2-b]indole-2-carboxylate has a molecular weight of 348.38 g/mol, XLogP of 4.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-fluorophenyl)-5-methylpyrido[3,2-b]indole-2-carboxylate is sourced from PubChem (CID 166440716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).