4-ethoxy-2-(5-fluoro-2-methoxy-4-pyridinyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide

C24H24FN5O3 — CID 122431374

IUPAC4-ethoxy-2-(5-fluoro-2-methoxy-4-pyridinyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide
SMILESCCOc1cc(-c2cc(OC)ncc2F)nc2cc(C(=O)NCCCc3ncc[nH]3)ccc12
InChIInChI=1S/C24H24FN5O3/c1-3-33-21-13-20(17-12-23(32-2)29-14-18(17)25)30-19-11-15(6-7-16(19)21)24(31)28-8-4-5-22-26-9-10-27-22/h6-7,9-14H,3-5,8H2,1-2H3,(H,26,27)(H,28,31)
InChIKeyCBWMVTAHPKYAQV-UHFFFAOYSA-N
MW449.49 g/mol
LogP3.93
Rot. Bonds9

About 4-ethoxy-2-(5-fluoro-2-methoxy-4-pyridinyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide

4-ethoxy-2-(5-fluoro-2-methoxy-4-pyridinyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide (PubChem CID 122431374) has the molecular formula C24H24FN5O3 and a molecular weight of 449.49 g/mol. Its IUPAC name is 4-ethoxy-2-(5-fluoro-2-methoxy-4-pyridinyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide.

Molecular Properties

Compound Name4-ethoxy-2-(5-fluoro-2-methoxy-4-pyridinyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide
PubChem CID122431374
Molecular FormulaC24H24FN5O3
Molecular Weight449.49 g/mol
Exact Mass449.19
IUPAC Name4-ethoxy-2-(5-fluoro-2-methoxy-4-pyridinyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide
SMILESCCOc1cc(-c2cc(OC)ncc2F)nc2cc(C(=O)NCCCc3ncc[nH]3)ccc12
InChIInChI=1S/C24H24FN5O3/c1-3-33-21-13-20(17-12-23(32-2)29-14-18(17)25)30-19-11-15(6-7-16(19)21)24(31)28-8-4-5-22-26-9-10-27-22/h6-7,9-14H,3-5,8H2,1-2H3,(H,26,27)(H,28,31)
InChIKeyCBWMVTAHPKYAQV-UHFFFAOYSA-N
XLogP3.93
TPSA102.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.49
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(5-fluoro-2-methoxy-4-pyridinyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide?
The IUPAC name of 4-ethoxy-2-(5-fluoro-2-methoxy-4-pyridinyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide (CID 122431374) is 4-ethoxy-2-(5-fluoro-2-methoxy-4-pyridinyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide.
What is the SMILES notation for 4-ethoxy-2-(5-fluoro-2-methoxy-4-pyridinyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide?
The canonical SMILES for 4-ethoxy-2-(5-fluoro-2-methoxy-4-pyridinyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide is CCOc1cc(-c2cc(OC)ncc2F)nc2cc(C(=O)NCCCc3ncc[nH]3)ccc12.
What is the InChIKey of 4-ethoxy-2-(5-fluoro-2-methoxy-4-pyridinyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide?
The InChIKey is CBWMVTAHPKYAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN5O3/c1-3-33-21-13-20(17-12-23(32-2)29-14-18(17)25)30-19-11-15(6-7-16(19)21)24(31)28-8-4-5-22-26-9-10-27-22/h6-7,9-14H,3-5,8H2,1-2H3,(H,26,27)(H,28,31).
What are the key properties of 4-ethoxy-2-(5-fluoro-2-methoxy-4-pyridinyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide?
4-ethoxy-2-(5-fluoro-2-methoxy-4-pyridinyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide has a molecular weight of 449.49 g/mol, XLogP of 3.93, 9 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-methoxy-4-pyridinyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide is sourced from PubChem (CID 122431374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).