methyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-(2-morpholin-4-ylethylcarbamoyl)quinoline-7-carboxylate

C25H26FN3O5 — CID 59696248

IUPACmethyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-(2-morpholin-4-ylethylcarbamoyl)quinoline-7-carboxylate
SMILESCOC(=O)c1cc(C(=O)NCCN2CCOCC2)c2cc(Cc3ccc(F)cc3)cnc2c1O
InChIInChI=1S/C25H26FN3O5/c1-33-25(32)21-14-20(24(31)27-6-7-29-8-10-34-11-9-29)19-13-17(15-28-22(19)23(21)30)12-16-2-4-18(26)5-3-16/h2-5,13-15,30H,6-12H2,1H3,(H,27,31)
InChIKeyRIZLCBXUUFXBRR-UHFFFAOYSA-N
MW467.50 g/mol
LogP2.52
Rot. Bonds7

About methyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-(2-morpholin-4-ylethylcarbamoyl)quinoline-7-carboxylate

methyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-(2-morpholin-4-ylethylcarbamoyl)quinoline-7-carboxylate (PubChem CID 59696248) has the molecular formula C25H26FN3O5 and a molecular weight of 467.50 g/mol. Its IUPAC name is methyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-(2-morpholin-4-ylethylcarbamoyl)quinoline-7-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-(2-morpholin-4-ylethylcarbamoyl)quinoline-7-carboxylate
PubChem CID59696248
Molecular FormulaC25H26FN3O5
Molecular Weight467.50 g/mol
Exact Mass467.19
IUPAC Namemethyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-(2-morpholin-4-ylethylcarbamoyl)quinoline-7-carboxylate
SMILESCOC(=O)c1cc(C(=O)NCCN2CCOCC2)c2cc(Cc3ccc(F)cc3)cnc2c1O
InChIInChI=1S/C25H26FN3O5/c1-33-25(32)21-14-20(24(31)27-6-7-29-8-10-34-11-9-29)19-13-17(15-28-22(19)23(21)30)12-16-2-4-18(26)5-3-16/h2-5,13-15,30H,6-12H2,1H3,(H,27,31)
InChIKeyRIZLCBXUUFXBRR-UHFFFAOYSA-N
XLogP2.52
TPSA100.99 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.50
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-(2-morpholin-4-ylethylcarbamoyl)quinoline-7-carboxylate?
The IUPAC name of methyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-(2-morpholin-4-ylethylcarbamoyl)quinoline-7-carboxylate (CID 59696248) is methyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-(2-morpholin-4-ylethylcarbamoyl)quinoline-7-carboxylate.
What is the SMILES notation for methyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-(2-morpholin-4-ylethylcarbamoyl)quinoline-7-carboxylate?
The canonical SMILES for methyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-(2-morpholin-4-ylethylcarbamoyl)quinoline-7-carboxylate is COC(=O)c1cc(C(=O)NCCN2CCOCC2)c2cc(Cc3ccc(F)cc3)cnc2c1O.
What is the InChIKey of methyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-(2-morpholin-4-ylethylcarbamoyl)quinoline-7-carboxylate?
The InChIKey is RIZLCBXUUFXBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN3O5/c1-33-25(32)21-14-20(24(31)27-6-7-29-8-10-34-11-9-29)19-13-17(15-28-22(19)23(21)30)12-16-2-4-18(26)5-3-16/h2-5,13-15,30H,6-12H2,1H3,(H,27,31).
What are the key properties of methyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-(2-morpholin-4-ylethylcarbamoyl)quinoline-7-carboxylate?
methyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-(2-morpholin-4-ylethylcarbamoyl)quinoline-7-carboxylate has a molecular weight of 467.50 g/mol, XLogP of 2.52, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-(2-morpholin-4-ylethylcarbamoyl)quinoline-7-carboxylate is sourced from PubChem (CID 59696248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).