2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-4-propan-2-yloxyquinoline-7-carboxamide

C25H25FN4O2 — CID 122431662

IUPAC2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-4-propan-2-yloxyquinoline-7-carboxamide
SMILESCC(C)Oc1cc(-c2ccc(F)cc2)nc2cc(C(=O)NCCCc3ncc[nH]3)ccc12
InChIInChI=1S/C25H25FN4O2/c1-16(2)32-23-15-21(17-5-8-19(26)9-6-17)30-22-14-18(7-10-20(22)23)25(31)29-11-3-4-24-27-12-13-28-24/h5-10,12-16H,3-4,11H2,1-2H3,(H,27,28)(H,29,31)
InChIKeyUGUPOGDIRDCEHS-UHFFFAOYSA-N
MW432.50 g/mol
LogP4.91
Rot. Bonds8

About 2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-4-propan-2-yloxyquinoline-7-carboxamide

2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-4-propan-2-yloxyquinoline-7-carboxamide (PubChem CID 122431662) has the molecular formula C25H25FN4O2 and a molecular weight of 432.50 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-4-propan-2-yloxyquinoline-7-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-4-propan-2-yloxyquinoline-7-carboxamide
PubChem CID122431662
Molecular FormulaC25H25FN4O2
Molecular Weight432.50 g/mol
Exact Mass432.20
IUPAC Name2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-4-propan-2-yloxyquinoline-7-carboxamide
SMILESCC(C)Oc1cc(-c2ccc(F)cc2)nc2cc(C(=O)NCCCc3ncc[nH]3)ccc12
InChIInChI=1S/C25H25FN4O2/c1-16(2)32-23-15-21(17-5-8-19(26)9-6-17)30-22-14-18(7-10-20(22)23)25(31)29-11-3-4-24-27-12-13-28-24/h5-10,12-16H,3-4,11H2,1-2H3,(H,27,28)(H,29,31)
InChIKeyUGUPOGDIRDCEHS-UHFFFAOYSA-N
XLogP4.91
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 54.91
H-Bond Donors ≤ 52
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 2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-4-propan-2-yloxyquinoline-7-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-4-propan-2-yloxyquinoline-7-carboxamide (CID 122431662) is 2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-4-propan-2-yloxyquinoline-7-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-4-propan-2-yloxyquinoline-7-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-4-propan-2-yloxyquinoline-7-carboxamide is CC(C)Oc1cc(-c2ccc(F)cc2)nc2cc(C(=O)NCCCc3ncc[nH]3)ccc12.
What is the InChIKey of 2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-4-propan-2-yloxyquinoline-7-carboxamide?
The InChIKey is UGUPOGDIRDCEHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN4O2/c1-16(2)32-23-15-21(17-5-8-19(26)9-6-17)30-22-14-18(7-10-20(22)23)25(31)29-11-3-4-24-27-12-13-28-24/h5-10,12-16H,3-4,11H2,1-2H3,(H,27,28)(H,29,31).
What are the key properties of 2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-4-propan-2-yloxyquinoline-7-carboxamide?
2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-4-propan-2-yloxyquinoline-7-carboxamide has a molecular weight of 432.50 g/mol, XLogP of 4.91, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-4-propan-2-yloxyquinoline-7-carboxamide is sourced from PubChem (CID 122431662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).