2-[5-(6,7-dimethoxyquinolin-4-yl)oxy-3-methoxy-2-pyridinyl]-N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)acetamide

C25H27N5O5 — CID 70689830

IUPAC2-[5-(6,7-dimethoxyquinolin-4-yl)oxy-3-methoxy-2-pyridinyl]-N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)acetamide
SMILESCCc1[nH]nc(NC(=O)Cc2ncc(Oc3ccnc4cc(OC)c(OC)cc34)cc2OC)c1C
InChIInChI=1S/C25H27N5O5/c1-6-17-14(2)25(30-29-17)28-24(31)12-19-21(32-3)9-15(13-27-19)35-20-7-8-26-18-11-23(34-5)22(33-4)10-16(18)20/h7-11,13H,6,12H2,1-5H3,(H2,28,29,30,31)
InChIKeyOVKRRHLOFQLWRN-UHFFFAOYSA-N
MW477.52 g/mol
LogP4.22
Rot. Bonds9

About 2-[5-(6,7-dimethoxyquinolin-4-yl)oxy-3-methoxy-2-pyridinyl]-N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)acetamide

2-[5-(6,7-dimethoxyquinolin-4-yl)oxy-3-methoxy-2-pyridinyl]-N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)acetamide (PubChem CID 70689830) has the molecular formula C25H27N5O5 and a molecular weight of 477.52 g/mol. Its IUPAC name is 2-[5-(6,7-dimethoxyquinolin-4-yl)oxy-3-methoxy-2-pyridinyl]-N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[5-(6,7-dimethoxyquinolin-4-yl)oxy-3-methoxy-2-pyridinyl]-N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)acetamide
PubChem CID70689830
Molecular FormulaC25H27N5O5
Molecular Weight477.52 g/mol
Exact Mass477.20
IUPAC Name2-[5-(6,7-dimethoxyquinolin-4-yl)oxy-3-methoxy-2-pyridinyl]-N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)acetamide
SMILESCCc1[nH]nc(NC(=O)Cc2ncc(Oc3ccnc4cc(OC)c(OC)cc34)cc2OC)c1C
InChIInChI=1S/C25H27N5O5/c1-6-17-14(2)25(30-29-17)28-24(31)12-19-21(32-3)9-15(13-27-19)35-20-7-8-26-18-11-23(34-5)22(33-4)10-16(18)20/h7-11,13H,6,12H2,1-5H3,(H2,28,29,30,31)
InChIKeyOVKRRHLOFQLWRN-UHFFFAOYSA-N
XLogP4.22
TPSA120.48 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.52
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(6,7-dimethoxyquinolin-4-yl)oxy-3-methoxy-2-pyridinyl]-N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)acetamide?
The IUPAC name of 2-[5-(6,7-dimethoxyquinolin-4-yl)oxy-3-methoxy-2-pyridinyl]-N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)acetamide (CID 70689830) is 2-[5-(6,7-dimethoxyquinolin-4-yl)oxy-3-methoxy-2-pyridinyl]-N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)acetamide.
What is the SMILES notation for 2-[5-(6,7-dimethoxyquinolin-4-yl)oxy-3-methoxy-2-pyridinyl]-N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)acetamide?
The canonical SMILES for 2-[5-(6,7-dimethoxyquinolin-4-yl)oxy-3-methoxy-2-pyridinyl]-N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)acetamide is CCc1[nH]nc(NC(=O)Cc2ncc(Oc3ccnc4cc(OC)c(OC)cc34)cc2OC)c1C.
What is the InChIKey of 2-[5-(6,7-dimethoxyquinolin-4-yl)oxy-3-methoxy-2-pyridinyl]-N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)acetamide?
The InChIKey is OVKRRHLOFQLWRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O5/c1-6-17-14(2)25(30-29-17)28-24(31)12-19-21(32-3)9-15(13-27-19)35-20-7-8-26-18-11-23(34-5)22(33-4)10-16(18)20/h7-11,13H,6,12H2,1-5H3,(H2,28,29,30,31).
What are the key properties of 2-[5-(6,7-dimethoxyquinolin-4-yl)oxy-3-methoxy-2-pyridinyl]-N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)acetamide?
2-[5-(6,7-dimethoxyquinolin-4-yl)oxy-3-methoxy-2-pyridinyl]-N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)acetamide has a molecular weight of 477.52 g/mol, XLogP of 4.22, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(6,7-dimethoxyquinolin-4-yl)oxy-3-methoxy-2-pyridinyl]-N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)acetamide is sourced from PubChem (CID 70689830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).