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

C25H23FN4O2 — CID 122424032

IUPAC4-ethoxy-2-(4-fluorophenyl)-N-[[2-(1H-imidazol-2-yl)cyclopropyl]methyl]quinoline-7-carboxamide
SMILESCCOc1cc(-c2ccc(F)cc2)nc2cc(C(=O)NCC3CC3c3ncc[nH]3)ccc12
InChIInChI=1S/C25H23FN4O2/c1-2-32-23-13-21(15-3-6-18(26)7-4-15)30-22-12-16(5-8-19(22)23)25(31)29-14-17-11-20(17)24-27-9-10-28-24/h3-10,12-13,17,20H,2,11,14H2,1H3,(H,27,28)(H,29,31)
InChIKeyNSKDHMJJQBKKMS-UHFFFAOYSA-N
MW430.48 g/mol
LogP4.70
Rot. Bonds7

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

4-ethoxy-2-(4-fluorophenyl)-N-[[2-(1H-imidazol-2-yl)cyclopropyl]methyl]quinoline-7-carboxamide (PubChem CID 122424032) has the molecular formula C25H23FN4O2 and a molecular weight of 430.48 g/mol. Its IUPAC name is 4-ethoxy-2-(4-fluorophenyl)-N-[[2-(1H-imidazol-2-yl)cyclopropyl]methyl]quinoline-7-carboxamide.

Molecular Properties

Compound Name4-ethoxy-2-(4-fluorophenyl)-N-[[2-(1H-imidazol-2-yl)cyclopropyl]methyl]quinoline-7-carboxamide
PubChem CID122424032
Molecular FormulaC25H23FN4O2
Molecular Weight430.48 g/mol
Exact Mass430.18
IUPAC Name4-ethoxy-2-(4-fluorophenyl)-N-[[2-(1H-imidazol-2-yl)cyclopropyl]methyl]quinoline-7-carboxamide
SMILESCCOc1cc(-c2ccc(F)cc2)nc2cc(C(=O)NCC3CC3c3ncc[nH]3)ccc12
InChIInChI=1S/C25H23FN4O2/c1-2-32-23-13-21(15-3-6-18(26)7-4-15)30-22-12-16(5-8-19(22)23)25(31)29-14-17-11-20(17)24-27-9-10-28-24/h3-10,12-13,17,20H,2,11,14H2,1H3,(H,27,28)(H,29,31)
InChIKeyNSKDHMJJQBKKMS-UHFFFAOYSA-N
XLogP4.70
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.48
LogP ≤ 54.70
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-[[2-(1H-imidazol-2-yl)cyclopropyl]methyl]quinoline-7-carboxamide?
The IUPAC name of 4-ethoxy-2-(4-fluorophenyl)-N-[[2-(1H-imidazol-2-yl)cyclopropyl]methyl]quinoline-7-carboxamide (CID 122424032) is 4-ethoxy-2-(4-fluorophenyl)-N-[[2-(1H-imidazol-2-yl)cyclopropyl]methyl]quinoline-7-carboxamide.
What is the SMILES notation for 4-ethoxy-2-(4-fluorophenyl)-N-[[2-(1H-imidazol-2-yl)cyclopropyl]methyl]quinoline-7-carboxamide?
The canonical SMILES for 4-ethoxy-2-(4-fluorophenyl)-N-[[2-(1H-imidazol-2-yl)cyclopropyl]methyl]quinoline-7-carboxamide is CCOc1cc(-c2ccc(F)cc2)nc2cc(C(=O)NCC3CC3c3ncc[nH]3)ccc12.
What is the InChIKey of 4-ethoxy-2-(4-fluorophenyl)-N-[[2-(1H-imidazol-2-yl)cyclopropyl]methyl]quinoline-7-carboxamide?
The InChIKey is NSKDHMJJQBKKMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4O2/c1-2-32-23-13-21(15-3-6-18(26)7-4-15)30-22-12-16(5-8-19(22)23)25(31)29-14-17-11-20(17)24-27-9-10-28-24/h3-10,12-13,17,20H,2,11,14H2,1H3,(H,27,28)(H,29,31).
What are the key properties of 4-ethoxy-2-(4-fluorophenyl)-N-[[2-(1H-imidazol-2-yl)cyclopropyl]methyl]quinoline-7-carboxamide?
4-ethoxy-2-(4-fluorophenyl)-N-[[2-(1H-imidazol-2-yl)cyclopropyl]methyl]quinoline-7-carboxamide has a molecular weight of 430.48 g/mol, XLogP of 4.70, 7 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-[[2-(1H-imidazol-2-yl)cyclopropyl]methyl]quinoline-7-carboxamide is sourced from PubChem (CID 122424032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).