(4-fluorophenyl) 3-[[1-methyl-4-(methylamino)cyclohexyl]amino]quinoline-6-carboxylate

C24H26FN3O2 — CID 141344689

IUPAC(4-fluorophenyl) 3-[[1-methyl-4-(methylamino)cyclohexyl]amino]quinoline-6-carboxylate
SMILESCNC1CCC(C)(Nc2cnc3ccc(C(=O)Oc4ccc(F)cc4)cc3c2)CC1
InChIInChI=1S/C24H26FN3O2/c1-24(11-9-19(26-2)10-12-24)28-20-14-17-13-16(3-8-22(17)27-15-20)23(29)30-21-6-4-18(25)5-7-21/h3-8,13-15,19,26,28H,9-12H2,1-2H3
InChIKeyVEUGUJLYVABXPV-UHFFFAOYSA-N
MW407.49 g/mol
LogP4.93
Rot. Bonds5

About (4-fluorophenyl) 3-[[1-methyl-4-(methylamino)cyclohexyl]amino]quinoline-6-carboxylate

(4-fluorophenyl) 3-[[1-methyl-4-(methylamino)cyclohexyl]amino]quinoline-6-carboxylate (PubChem CID 141344689) has the molecular formula C24H26FN3O2 and a molecular weight of 407.49 g/mol. Its IUPAC name is (4-fluorophenyl) 3-[[1-methyl-4-(methylamino)cyclohexyl]amino]quinoline-6-carboxylate.

Molecular Properties

Compound Name(4-fluorophenyl) 3-[[1-methyl-4-(methylamino)cyclohexyl]amino]quinoline-6-carboxylate
PubChem CID141344689
Molecular FormulaC24H26FN3O2
Molecular Weight407.49 g/mol
Exact Mass407.20
IUPAC Name(4-fluorophenyl) 3-[[1-methyl-4-(methylamino)cyclohexyl]amino]quinoline-6-carboxylate
SMILESCNC1CCC(C)(Nc2cnc3ccc(C(=O)Oc4ccc(F)cc4)cc3c2)CC1
InChIInChI=1S/C24H26FN3O2/c1-24(11-9-19(26-2)10-12-24)28-20-14-17-13-16(3-8-22(17)27-15-20)23(29)30-21-6-4-18(25)5-7-21/h3-8,13-15,19,26,28H,9-12H2,1-2H3
InChIKeyVEUGUJLYVABXPV-UHFFFAOYSA-N
XLogP4.93
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.49
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl) 3-[[1-methyl-4-(methylamino)cyclohexyl]amino]quinoline-6-carboxylate?
The IUPAC name of (4-fluorophenyl) 3-[[1-methyl-4-(methylamino)cyclohexyl]amino]quinoline-6-carboxylate (CID 141344689) is (4-fluorophenyl) 3-[[1-methyl-4-(methylamino)cyclohexyl]amino]quinoline-6-carboxylate.
What is the SMILES notation for (4-fluorophenyl) 3-[[1-methyl-4-(methylamino)cyclohexyl]amino]quinoline-6-carboxylate?
The canonical SMILES for (4-fluorophenyl) 3-[[1-methyl-4-(methylamino)cyclohexyl]amino]quinoline-6-carboxylate is CNC1CCC(C)(Nc2cnc3ccc(C(=O)Oc4ccc(F)cc4)cc3c2)CC1.
What is the InChIKey of (4-fluorophenyl) 3-[[1-methyl-4-(methylamino)cyclohexyl]amino]quinoline-6-carboxylate?
The InChIKey is VEUGUJLYVABXPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O2/c1-24(11-9-19(26-2)10-12-24)28-20-14-17-13-16(3-8-22(17)27-15-20)23(29)30-21-6-4-18(25)5-7-21/h3-8,13-15,19,26,28H,9-12H2,1-2H3.
What are the key properties of (4-fluorophenyl) 3-[[1-methyl-4-(methylamino)cyclohexyl]amino]quinoline-6-carboxylate?
(4-fluorophenyl) 3-[[1-methyl-4-(methylamino)cyclohexyl]amino]quinoline-6-carboxylate has a molecular weight of 407.49 g/mol, XLogP of 4.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl) 3-[[1-methyl-4-(methylamino)cyclohexyl]amino]quinoline-6-carboxylate is sourced from PubChem (CID 141344689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).