4-ethoxy-2-(5-fluoro-2-methoxyphenyl)-N-[2-(2H-triazol-4-yl)ethyl]quinoline-7-carboxamide

C23H22FN5O3 — CID 134164650

IUPAC4-ethoxy-2-(5-fluoro-2-methoxyphenyl)-N-[2-(2H-triazol-4-yl)ethyl]quinoline-7-carboxamide
SMILESCCOc1cc(-c2cc(F)ccc2OC)nc2cc(C(=O)NCCc3cn[nH]n3)ccc12
InChIInChI=1S/C23H22FN5O3/c1-3-32-22-12-20(18-11-15(24)5-7-21(18)31-2)27-19-10-14(4-6-17(19)22)23(30)25-9-8-16-13-26-29-28-16/h4-7,10-13H,3,8-9H2,1-2H3,(H,25,30)(H,26,28,29)
InChIKeyBXTZRAVJWYBLFC-UHFFFAOYSA-N
MW435.46 g/mol
LogP3.54
Rot. Bonds8

About 4-ethoxy-2-(5-fluoro-2-methoxyphenyl)-N-[2-(2H-triazol-4-yl)ethyl]quinoline-7-carboxamide

4-ethoxy-2-(5-fluoro-2-methoxyphenyl)-N-[2-(2H-triazol-4-yl)ethyl]quinoline-7-carboxamide (PubChem CID 134164650) has the molecular formula C23H22FN5O3 and a molecular weight of 435.46 g/mol. Its IUPAC name is 4-ethoxy-2-(5-fluoro-2-methoxyphenyl)-N-[2-(2H-triazol-4-yl)ethyl]quinoline-7-carboxamide.

Molecular Properties

Compound Name4-ethoxy-2-(5-fluoro-2-methoxyphenyl)-N-[2-(2H-triazol-4-yl)ethyl]quinoline-7-carboxamide
PubChem CID134164650
Molecular FormulaC23H22FN5O3
Molecular Weight435.46 g/mol
Exact Mass435.17
IUPAC Name4-ethoxy-2-(5-fluoro-2-methoxyphenyl)-N-[2-(2H-triazol-4-yl)ethyl]quinoline-7-carboxamide
SMILESCCOc1cc(-c2cc(F)ccc2OC)nc2cc(C(=O)NCCc3cn[nH]n3)ccc12
InChIInChI=1S/C23H22FN5O3/c1-3-32-22-12-20(18-11-15(24)5-7-21(18)31-2)27-19-10-14(4-6-17(19)22)23(30)25-9-8-16-13-26-29-28-16/h4-7,10-13H,3,8-9H2,1-2H3,(H,25,30)(H,26,28,29)
InChIKeyBXTZRAVJWYBLFC-UHFFFAOYSA-N
XLogP3.54
TPSA102.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.46
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-ethoxy-2-(5-fluoro-2-methoxyphenyl)-N-[2-(2H-triazol-4-yl)ethyl]quinoline-7-carboxamide 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 4-ethoxy-2-(5-fluoro-2-methoxyphenyl)-N-[2-(2H-triazol-4-yl)ethyl]quinoline-7-carboxamide?
The IUPAC name of 4-ethoxy-2-(5-fluoro-2-methoxyphenyl)-N-[2-(2H-triazol-4-yl)ethyl]quinoline-7-carboxamide (CID 134164650) is 4-ethoxy-2-(5-fluoro-2-methoxyphenyl)-N-[2-(2H-triazol-4-yl)ethyl]quinoline-7-carboxamide.
What is the SMILES notation for 4-ethoxy-2-(5-fluoro-2-methoxyphenyl)-N-[2-(2H-triazol-4-yl)ethyl]quinoline-7-carboxamide?
The canonical SMILES for 4-ethoxy-2-(5-fluoro-2-methoxyphenyl)-N-[2-(2H-triazol-4-yl)ethyl]quinoline-7-carboxamide is CCOc1cc(-c2cc(F)ccc2OC)nc2cc(C(=O)NCCc3cn[nH]n3)ccc12.
What is the InChIKey of 4-ethoxy-2-(5-fluoro-2-methoxyphenyl)-N-[2-(2H-triazol-4-yl)ethyl]quinoline-7-carboxamide?
The InChIKey is BXTZRAVJWYBLFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN5O3/c1-3-32-22-12-20(18-11-15(24)5-7-21(18)31-2)27-19-10-14(4-6-17(19)22)23(30)25-9-8-16-13-26-29-28-16/h4-7,10-13H,3,8-9H2,1-2H3,(H,25,30)(H,26,28,29).
What are the key properties of 4-ethoxy-2-(5-fluoro-2-methoxyphenyl)-N-[2-(2H-triazol-4-yl)ethyl]quinoline-7-carboxamide?
4-ethoxy-2-(5-fluoro-2-methoxyphenyl)-N-[2-(2H-triazol-4-yl)ethyl]quinoline-7-carboxamide has a molecular weight of 435.46 g/mol, XLogP of 3.54, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2-(5-fluoro-2-methoxyphenyl)-N-[2-(2H-triazol-4-yl)ethyl]quinoline-7-carboxamide is sourced from PubChem (CID 134164650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).