methyl 2-[4-fluoro-3-(pyridine-2-carbonylamino)phenyl]-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carboxylate

C25H24FN3O3 — CID 67439889

IUPACmethyl 2-[4-fluoro-3-(pyridine-2-carbonylamino)phenyl]-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carboxylate
SMILESCOC(=O)c1ccc2c(c1)CC(C)(C)C(c1ccc(F)c(NC(=O)c3ccccn3)c1)N2
InChIInChI=1S/C25H24FN3O3/c1-25(2)14-17-12-16(24(31)32-3)8-10-19(17)28-22(25)15-7-9-18(26)21(13-15)29-23(30)20-6-4-5-11-27-20/h4-13,22,28H,14H2,1-3H3,(H,29,30)
InChIKeyOZHWUDVQNUXEDZ-UHFFFAOYSA-N
MW433.48 g/mol
LogP5.00
Rot. Bonds4

About methyl 2-[4-fluoro-3-(pyridine-2-carbonylamino)phenyl]-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carboxylate

methyl 2-[4-fluoro-3-(pyridine-2-carbonylamino)phenyl]-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carboxylate (PubChem CID 67439889) has the molecular formula C25H24FN3O3 and a molecular weight of 433.48 g/mol. Its IUPAC name is methyl 2-[4-fluoro-3-(pyridine-2-carbonylamino)phenyl]-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-[4-fluoro-3-(pyridine-2-carbonylamino)phenyl]-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carboxylate
PubChem CID67439889
Molecular FormulaC25H24FN3O3
Molecular Weight433.48 g/mol
Exact Mass433.18
IUPAC Namemethyl 2-[4-fluoro-3-(pyridine-2-carbonylamino)phenyl]-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carboxylate
SMILESCOC(=O)c1ccc2c(c1)CC(C)(C)C(c1ccc(F)c(NC(=O)c3ccccn3)c1)N2
InChIInChI=1S/C25H24FN3O3/c1-25(2)14-17-12-16(24(31)32-3)8-10-19(17)28-22(25)15-7-9-18(26)21(13-15)29-23(30)20-6-4-5-11-27-20/h4-13,22,28H,14H2,1-3H3,(H,29,30)
InChIKeyOZHWUDVQNUXEDZ-UHFFFAOYSA-N
XLogP5.00
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.48
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 2-[4-fluoro-3-(pyridine-2-carbonylamino)phenyl]-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-fluoro-3-(pyridine-2-carbonylamino)phenyl]-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carboxylate?
The IUPAC name of methyl 2-[4-fluoro-3-(pyridine-2-carbonylamino)phenyl]-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carboxylate (CID 67439889) is methyl 2-[4-fluoro-3-(pyridine-2-carbonylamino)phenyl]-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carboxylate.
What is the SMILES notation for methyl 2-[4-fluoro-3-(pyridine-2-carbonylamino)phenyl]-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carboxylate?
The canonical SMILES for methyl 2-[4-fluoro-3-(pyridine-2-carbonylamino)phenyl]-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carboxylate is COC(=O)c1ccc2c(c1)CC(C)(C)C(c1ccc(F)c(NC(=O)c3ccccn3)c1)N2.
What is the InChIKey of methyl 2-[4-fluoro-3-(pyridine-2-carbonylamino)phenyl]-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carboxylate?
The InChIKey is OZHWUDVQNUXEDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN3O3/c1-25(2)14-17-12-16(24(31)32-3)8-10-19(17)28-22(25)15-7-9-18(26)21(13-15)29-23(30)20-6-4-5-11-27-20/h4-13,22,28H,14H2,1-3H3,(H,29,30).
What are the key properties of methyl 2-[4-fluoro-3-(pyridine-2-carbonylamino)phenyl]-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carboxylate?
methyl 2-[4-fluoro-3-(pyridine-2-carbonylamino)phenyl]-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carboxylate has a molecular weight of 433.48 g/mol, XLogP of 5.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-fluoro-3-(pyridine-2-carbonylamino)phenyl]-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carboxylate is sourced from PubChem (CID 67439889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).