4-ethoxy-2-(4-fluorophenyl)-N-[3-(6-methyl-3-pyridinyl)propyl]quinoline-7-carboxamide

C27H26FN3O2 — CID 122431580

IUPAC4-ethoxy-2-(4-fluorophenyl)-N-[3-(6-methyl-3-pyridinyl)propyl]quinoline-7-carboxamide
SMILESCCOc1cc(-c2ccc(F)cc2)nc2cc(C(=O)NCCCc3ccc(C)nc3)ccc12
InChIInChI=1S/C27H26FN3O2/c1-3-33-26-16-24(20-8-11-22(28)12-9-20)31-25-15-21(10-13-23(25)26)27(32)29-14-4-5-19-7-6-18(2)30-17-19/h6-13,15-17H,3-5,14H2,1-2H3,(H,29,32)
InChIKeyRYRUYHZFMIAYCZ-UHFFFAOYSA-N
MW443.52 g/mol
LogP5.51
Rot. Bonds8

About 4-ethoxy-2-(4-fluorophenyl)-N-[3-(6-methyl-3-pyridinyl)propyl]quinoline-7-carboxamide

4-ethoxy-2-(4-fluorophenyl)-N-[3-(6-methyl-3-pyridinyl)propyl]quinoline-7-carboxamide (PubChem CID 122431580) has the molecular formula C27H26FN3O2 and a molecular weight of 443.52 g/mol. Its IUPAC name is 4-ethoxy-2-(4-fluorophenyl)-N-[3-(6-methyl-3-pyridinyl)propyl]quinoline-7-carboxamide.

Molecular Properties

Compound Name4-ethoxy-2-(4-fluorophenyl)-N-[3-(6-methyl-3-pyridinyl)propyl]quinoline-7-carboxamide
PubChem CID122431580
Molecular FormulaC27H26FN3O2
Molecular Weight443.52 g/mol
Exact Mass443.20
IUPAC Name4-ethoxy-2-(4-fluorophenyl)-N-[3-(6-methyl-3-pyridinyl)propyl]quinoline-7-carboxamide
SMILESCCOc1cc(-c2ccc(F)cc2)nc2cc(C(=O)NCCCc3ccc(C)nc3)ccc12
InChIInChI=1S/C27H26FN3O2/c1-3-33-26-16-24(20-8-11-22(28)12-9-20)31-25-15-21(10-13-23(25)26)27(32)29-14-4-5-19-7-6-18(2)30-17-19/h6-13,15-17H,3-5,14H2,1-2H3,(H,29,32)
InChIKeyRYRUYHZFMIAYCZ-UHFFFAOYSA-N
XLogP5.51
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.52
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2-(4-fluorophenyl)-N-[3-(6-methyl-3-pyridinyl)propyl]quinoline-7-carboxamide?
The IUPAC name of 4-ethoxy-2-(4-fluorophenyl)-N-[3-(6-methyl-3-pyridinyl)propyl]quinoline-7-carboxamide (CID 122431580) is 4-ethoxy-2-(4-fluorophenyl)-N-[3-(6-methyl-3-pyridinyl)propyl]quinoline-7-carboxamide.
What is the SMILES notation for 4-ethoxy-2-(4-fluorophenyl)-N-[3-(6-methyl-3-pyridinyl)propyl]quinoline-7-carboxamide?
The canonical SMILES for 4-ethoxy-2-(4-fluorophenyl)-N-[3-(6-methyl-3-pyridinyl)propyl]quinoline-7-carboxamide is CCOc1cc(-c2ccc(F)cc2)nc2cc(C(=O)NCCCc3ccc(C)nc3)ccc12.
What is the InChIKey of 4-ethoxy-2-(4-fluorophenyl)-N-[3-(6-methyl-3-pyridinyl)propyl]quinoline-7-carboxamide?
The InChIKey is RYRUYHZFMIAYCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN3O2/c1-3-33-26-16-24(20-8-11-22(28)12-9-20)31-25-15-21(10-13-23(25)26)27(32)29-14-4-5-19-7-6-18(2)30-17-19/h6-13,15-17H,3-5,14H2,1-2H3,(H,29,32).
What are the key properties of 4-ethoxy-2-(4-fluorophenyl)-N-[3-(6-methyl-3-pyridinyl)propyl]quinoline-7-carboxamide?
4-ethoxy-2-(4-fluorophenyl)-N-[3-(6-methyl-3-pyridinyl)propyl]quinoline-7-carboxamide has a molecular weight of 443.52 g/mol, XLogP of 5.51, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2-(4-fluorophenyl)-N-[3-(6-methyl-3-pyridinyl)propyl]quinoline-7-carboxamide is sourced from PubChem (CID 122431580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).