3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluoroanilino]-N-ethyl-1-methylpyrazole-4-carboxamide

C24H24FN5O4 — CID 139533573

IUPAC3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluoroanilino]-N-ethyl-1-methylpyrazole-4-carboxamide
SMILESCCNC(=O)c1cn(C)nc1Nc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)c(F)c1
InChIInChI=1S/C24H24FN5O4/c1-5-26-24(31)16-13-30(2)29-23(16)28-14-6-7-20(17(25)10-14)34-19-8-9-27-18-12-22(33-4)21(32-3)11-15(18)19/h6-13H,5H2,1-4H3,(H,26,31)(H,28,29)
InChIKeyBEQSFEMNKVEYFO-UHFFFAOYSA-N
MW465.49 g/mol
LogP4.41
Rot. Bonds8

About 3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluoroanilino]-N-ethyl-1-methylpyrazole-4-carboxamide

3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluoroanilino]-N-ethyl-1-methylpyrazole-4-carboxamide (PubChem CID 139533573) has the molecular formula C24H24FN5O4 and a molecular weight of 465.49 g/mol. Its IUPAC name is 3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluoroanilino]-N-ethyl-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluoroanilino]-N-ethyl-1-methylpyrazole-4-carboxamide
PubChem CID139533573
Molecular FormulaC24H24FN5O4
Molecular Weight465.49 g/mol
Exact Mass465.18
IUPAC Name3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluoroanilino]-N-ethyl-1-methylpyrazole-4-carboxamide
SMILESCCNC(=O)c1cn(C)nc1Nc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)c(F)c1
InChIInChI=1S/C24H24FN5O4/c1-5-26-24(31)16-13-30(2)29-23(16)28-14-6-7-20(17(25)10-14)34-19-8-9-27-18-12-22(33-4)21(32-3)11-15(18)19/h6-13H,5H2,1-4H3,(H,26,31)(H,28,29)
InChIKeyBEQSFEMNKVEYFO-UHFFFAOYSA-N
XLogP4.41
TPSA99.53 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.49
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluoroanilino]-N-ethyl-1-methylpyrazole-4-carboxamide?
The IUPAC name of 3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluoroanilino]-N-ethyl-1-methylpyrazole-4-carboxamide (CID 139533573) is 3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluoroanilino]-N-ethyl-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for 3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluoroanilino]-N-ethyl-1-methylpyrazole-4-carboxamide?
The canonical SMILES for 3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluoroanilino]-N-ethyl-1-methylpyrazole-4-carboxamide is CCNC(=O)c1cn(C)nc1Nc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)c(F)c1.
What is the InChIKey of 3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluoroanilino]-N-ethyl-1-methylpyrazole-4-carboxamide?
The InChIKey is BEQSFEMNKVEYFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN5O4/c1-5-26-24(31)16-13-30(2)29-23(16)28-14-6-7-20(17(25)10-14)34-19-8-9-27-18-12-22(33-4)21(32-3)11-15(18)19/h6-13H,5H2,1-4H3,(H,26,31)(H,28,29).
What are the key properties of 3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluoroanilino]-N-ethyl-1-methylpyrazole-4-carboxamide?
3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluoroanilino]-N-ethyl-1-methylpyrazole-4-carboxamide has a molecular weight of 465.49 g/mol, XLogP of 4.41, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluoroanilino]-N-ethyl-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 139533573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).