4-ethoxy-2-(4-fluorophenyl)-N-[(1-methylimidazo[4,5-c]pyridin-2-yl)methyl]quinoline-7-carboxamide

C26H22FN5O2 — CID 122431369

IUPAC4-ethoxy-2-(4-fluorophenyl)-N-[(1-methylimidazo[4,5-c]pyridin-2-yl)methyl]quinoline-7-carboxamide
SMILESCCOc1cc(-c2ccc(F)cc2)nc2cc(C(=O)NCc3nc4cnccc4n3C)ccc12
InChIInChI=1S/C26H22FN5O2/c1-3-34-24-13-20(16-4-7-18(27)8-5-16)30-21-12-17(6-9-19(21)24)26(33)29-15-25-31-22-14-28-11-10-23(22)32(25)2/h4-14H,3,15H2,1-2H3,(H,29,33)
InChIKeyXRRUTWXCLBHRCS-UHFFFAOYSA-N
MW455.49 g/mol
LogP4.65
Rot. Bonds6

About 4-ethoxy-2-(4-fluorophenyl)-N-[(1-methylimidazo[4,5-c]pyridin-2-yl)methyl]quinoline-7-carboxamide

4-ethoxy-2-(4-fluorophenyl)-N-[(1-methylimidazo[4,5-c]pyridin-2-yl)methyl]quinoline-7-carboxamide (PubChem CID 122431369) has the molecular formula C26H22FN5O2 and a molecular weight of 455.49 g/mol. Its IUPAC name is 4-ethoxy-2-(4-fluorophenyl)-N-[(1-methylimidazo[4,5-c]pyridin-2-yl)methyl]quinoline-7-carboxamide.

Molecular Properties

Compound Name4-ethoxy-2-(4-fluorophenyl)-N-[(1-methylimidazo[4,5-c]pyridin-2-yl)methyl]quinoline-7-carboxamide
PubChem CID122431369
Molecular FormulaC26H22FN5O2
Molecular Weight455.49 g/mol
Exact Mass455.18
IUPAC Name4-ethoxy-2-(4-fluorophenyl)-N-[(1-methylimidazo[4,5-c]pyridin-2-yl)methyl]quinoline-7-carboxamide
SMILESCCOc1cc(-c2ccc(F)cc2)nc2cc(C(=O)NCc3nc4cnccc4n3C)ccc12
InChIInChI=1S/C26H22FN5O2/c1-3-34-24-13-20(16-4-7-18(27)8-5-16)30-21-12-17(6-9-19(21)24)26(33)29-15-25-31-22-14-28-11-10-23(22)32(25)2/h4-14H,3,15H2,1-2H3,(H,29,33)
InChIKeyXRRUTWXCLBHRCS-UHFFFAOYSA-N
XLogP4.65
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.49
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2-(4-fluorophenyl)-N-[(1-methylimidazo[4,5-c]pyridin-2-yl)methyl]quinoline-7-carboxamide?
The IUPAC name of 4-ethoxy-2-(4-fluorophenyl)-N-[(1-methylimidazo[4,5-c]pyridin-2-yl)methyl]quinoline-7-carboxamide (CID 122431369) is 4-ethoxy-2-(4-fluorophenyl)-N-[(1-methylimidazo[4,5-c]pyridin-2-yl)methyl]quinoline-7-carboxamide.
What is the SMILES notation for 4-ethoxy-2-(4-fluorophenyl)-N-[(1-methylimidazo[4,5-c]pyridin-2-yl)methyl]quinoline-7-carboxamide?
The canonical SMILES for 4-ethoxy-2-(4-fluorophenyl)-N-[(1-methylimidazo[4,5-c]pyridin-2-yl)methyl]quinoline-7-carboxamide is CCOc1cc(-c2ccc(F)cc2)nc2cc(C(=O)NCc3nc4cnccc4n3C)ccc12.
What is the InChIKey of 4-ethoxy-2-(4-fluorophenyl)-N-[(1-methylimidazo[4,5-c]pyridin-2-yl)methyl]quinoline-7-carboxamide?
The InChIKey is XRRUTWXCLBHRCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22FN5O2/c1-3-34-24-13-20(16-4-7-18(27)8-5-16)30-21-12-17(6-9-19(21)24)26(33)29-15-25-31-22-14-28-11-10-23(22)32(25)2/h4-14H,3,15H2,1-2H3,(H,29,33).
What are the key properties of 4-ethoxy-2-(4-fluorophenyl)-N-[(1-methylimidazo[4,5-c]pyridin-2-yl)methyl]quinoline-7-carboxamide?
4-ethoxy-2-(4-fluorophenyl)-N-[(1-methylimidazo[4,5-c]pyridin-2-yl)methyl]quinoline-7-carboxamide has a molecular weight of 455.49 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2-(4-fluorophenyl)-N-[(1-methylimidazo[4,5-c]pyridin-2-yl)methyl]quinoline-7-carboxamide is sourced from PubChem (CID 122431369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).