(5R)-3-[3-[(4-fluoro-1H-benzimidazol-2-yl)methylamino]propyl]-5-(6-methoxyquinolin-4-yl)-1,3-oxazolidin-2-one

C24H24FN5O3 — CID 10026715

IUPAC(5R)-3-[3-[(4-fluoro-1H-benzimidazol-2-yl)methylamino]propyl]-5-(6-methoxyquinolin-4-yl)-1,3-oxazolidin-2-one
SMILESCOc1ccc2nccc([C@@H]3CN(CCCNCc4nc5c(F)cccc5[nH]4)C(=O)O3)c2c1
InChIInChI=1S/C24H24FN5O3/c1-32-15-6-7-19-17(12-15)16(8-10-27-19)21-14-30(24(31)33-21)11-3-9-26-13-22-28-20-5-2-4-18(25)23(20)29-22/h2,4-8,10,12,21,26H,3,9,11,13-14H2,1H3,(H,28,29)/t21-/m0/s1
InChIKeyCBHCYXSDGUWRPT-NRFANRHFSA-N
MW449.49 g/mol
LogP3.93
Rot. Bonds8

About (5R)-3-[3-[(4-fluoro-1H-benzimidazol-2-yl)methylamino]propyl]-5-(6-methoxyquinolin-4-yl)-1,3-oxazolidin-2-one

(5R)-3-[3-[(4-fluoro-1H-benzimidazol-2-yl)methylamino]propyl]-5-(6-methoxyquinolin-4-yl)-1,3-oxazolidin-2-one (PubChem CID 10026715) has the molecular formula C24H24FN5O3 and a molecular weight of 449.49 g/mol. Its IUPAC name is (5R)-3-[3-[(4-fluoro-1H-benzimidazol-2-yl)methylamino]propyl]-5-(6-methoxyquinolin-4-yl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-3-[3-[(4-fluoro-1H-benzimidazol-2-yl)methylamino]propyl]-5-(6-methoxyquinolin-4-yl)-1,3-oxazolidin-2-one
PubChem CID10026715
Molecular FormulaC24H24FN5O3
Molecular Weight449.49 g/mol
Exact Mass449.19
IUPAC Name(5R)-3-[3-[(4-fluoro-1H-benzimidazol-2-yl)methylamino]propyl]-5-(6-methoxyquinolin-4-yl)-1,3-oxazolidin-2-one
SMILESCOc1ccc2nccc([C@@H]3CN(CCCNCc4nc5c(F)cccc5[nH]4)C(=O)O3)c2c1
InChIInChI=1S/C24H24FN5O3/c1-32-15-6-7-19-17(12-15)16(8-10-27-19)21-14-30(24(31)33-21)11-3-9-26-13-22-28-20-5-2-4-18(25)23(20)29-22/h2,4-8,10,12,21,26H,3,9,11,13-14H2,1H3,(H,28,29)/t21-/m0/s1
InChIKeyCBHCYXSDGUWRPT-NRFANRHFSA-N
XLogP3.93
TPSA92.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
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 (5R)-3-[3-[(4-fluoro-1H-benzimidazol-2-yl)methylamino]propyl]-5-(6-methoxyquinolin-4-yl)-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-3-[3-[(4-fluoro-1H-benzimidazol-2-yl)methylamino]propyl]-5-(6-methoxyquinolin-4-yl)-1,3-oxazolidin-2-one (CID 10026715) is (5R)-3-[3-[(4-fluoro-1H-benzimidazol-2-yl)methylamino]propyl]-5-(6-methoxyquinolin-4-yl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-3-[3-[(4-fluoro-1H-benzimidazol-2-yl)methylamino]propyl]-5-(6-methoxyquinolin-4-yl)-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-3-[3-[(4-fluoro-1H-benzimidazol-2-yl)methylamino]propyl]-5-(6-methoxyquinolin-4-yl)-1,3-oxazolidin-2-one is COc1ccc2nccc([C@@H]3CN(CCCNCc4nc5c(F)cccc5[nH]4)C(=O)O3)c2c1.
What is the InChIKey of (5R)-3-[3-[(4-fluoro-1H-benzimidazol-2-yl)methylamino]propyl]-5-(6-methoxyquinolin-4-yl)-1,3-oxazolidin-2-one?
The InChIKey is CBHCYXSDGUWRPT-NRFANRHFSA-N. The full InChI is InChI=1S/C24H24FN5O3/c1-32-15-6-7-19-17(12-15)16(8-10-27-19)21-14-30(24(31)33-21)11-3-9-26-13-22-28-20-5-2-4-18(25)23(20)29-22/h2,4-8,10,12,21,26H,3,9,11,13-14H2,1H3,(H,28,29)/t21-/m0/s1.
What are the key properties of (5R)-3-[3-[(4-fluoro-1H-benzimidazol-2-yl)methylamino]propyl]-5-(6-methoxyquinolin-4-yl)-1,3-oxazolidin-2-one?
(5R)-3-[3-[(4-fluoro-1H-benzimidazol-2-yl)methylamino]propyl]-5-(6-methoxyquinolin-4-yl)-1,3-oxazolidin-2-one has a molecular weight of 449.49 g/mol, XLogP of 3.93, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[3-[(4-fluoro-1H-benzimidazol-2-yl)methylamino]propyl]-5-(6-methoxyquinolin-4-yl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 10026715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).