4-ethoxy-2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)cyclobutyl]quinoline-7-carboxamide

C25H23FN4O2 — CID 122423992

IUPAC4-ethoxy-2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)cyclobutyl]quinoline-7-carboxamide
SMILESCCOc1cc(-c2ccc(F)cc2)nc2cc(C(=O)NC3CC(c4ncc[nH]4)C3)ccc12
InChIInChI=1S/C25H23FN4O2/c1-2-32-23-14-21(15-3-6-18(26)7-4-15)30-22-13-16(5-8-20(22)23)25(31)29-19-11-17(12-19)24-27-9-10-28-24/h3-10,13-14,17,19H,2,11-12H2,1H3,(H,27,28)(H,29,31)
InChIKeyFCEBVAHFBQQUDZ-UHFFFAOYSA-N
MW430.48 g/mol
LogP4.84
Rot. Bonds6

About 4-ethoxy-2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)cyclobutyl]quinoline-7-carboxamide

4-ethoxy-2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)cyclobutyl]quinoline-7-carboxamide (PubChem CID 122423992) has the molecular formula C25H23FN4O2 and a molecular weight of 430.48 g/mol. Its IUPAC name is 4-ethoxy-2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)cyclobutyl]quinoline-7-carboxamide.

Molecular Properties

Compound Name4-ethoxy-2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)cyclobutyl]quinoline-7-carboxamide
PubChem CID122423992
Molecular FormulaC25H23FN4O2
Molecular Weight430.48 g/mol
Exact Mass430.18
IUPAC Name4-ethoxy-2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)cyclobutyl]quinoline-7-carboxamide
SMILESCCOc1cc(-c2ccc(F)cc2)nc2cc(C(=O)NC3CC(c4ncc[nH]4)C3)ccc12
InChIInChI=1S/C25H23FN4O2/c1-2-32-23-14-21(15-3-6-18(26)7-4-15)30-22-13-16(5-8-20(22)23)25(31)29-19-11-17(12-19)24-27-9-10-28-24/h3-10,13-14,17,19H,2,11-12H2,1H3,(H,27,28)(H,29,31)
InChIKeyFCEBVAHFBQQUDZ-UHFFFAOYSA-N
XLogP4.84
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.48
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)cyclobutyl]quinoline-7-carboxamide?
The IUPAC name of 4-ethoxy-2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)cyclobutyl]quinoline-7-carboxamide (CID 122423992) is 4-ethoxy-2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)cyclobutyl]quinoline-7-carboxamide.
What is the SMILES notation for 4-ethoxy-2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)cyclobutyl]quinoline-7-carboxamide?
The canonical SMILES for 4-ethoxy-2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)cyclobutyl]quinoline-7-carboxamide is CCOc1cc(-c2ccc(F)cc2)nc2cc(C(=O)NC3CC(c4ncc[nH]4)C3)ccc12.
What is the InChIKey of 4-ethoxy-2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)cyclobutyl]quinoline-7-carboxamide?
The InChIKey is FCEBVAHFBQQUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4O2/c1-2-32-23-14-21(15-3-6-18(26)7-4-15)30-22-13-16(5-8-20(22)23)25(31)29-19-11-17(12-19)24-27-9-10-28-24/h3-10,13-14,17,19H,2,11-12H2,1H3,(H,27,28)(H,29,31).
What are the key properties of 4-ethoxy-2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)cyclobutyl]quinoline-7-carboxamide?
4-ethoxy-2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)cyclobutyl]quinoline-7-carboxamide has a molecular weight of 430.48 g/mol, XLogP of 4.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)cyclobutyl]quinoline-7-carboxamide is sourced from PubChem (CID 122423992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).