2-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-N-(1-ethylpyrazol-4-yl)acetamide

C24H24N4O4 — CID 57401808

IUPAC2-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-N-(1-ethylpyrazol-4-yl)acetamide
SMILESCCn1cc(NC(=O)Cc2ccc(Oc3ccnc4cc(OC)c(OC)cc34)cc2)cn1
InChIInChI=1S/C24H24N4O4/c1-4-28-15-17(14-26-28)27-24(29)11-16-5-7-18(8-6-16)32-21-9-10-25-20-13-23(31-3)22(30-2)12-19(20)21/h5-10,12-15H,4,11H2,1-3H3,(H,27,29)
InChIKeyMMCWBZCSGNCOMQ-UHFFFAOYSA-N
MW432.48 g/mol
LogP4.44
Rot. Bonds8

About 2-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-N-(1-ethylpyrazol-4-yl)acetamide

2-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-N-(1-ethylpyrazol-4-yl)acetamide (PubChem CID 57401808) has the molecular formula C24H24N4O4 and a molecular weight of 432.48 g/mol. Its IUPAC name is 2-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-N-(1-ethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-N-(1-ethylpyrazol-4-yl)acetamide
PubChem CID57401808
Molecular FormulaC24H24N4O4
Molecular Weight432.48 g/mol
Exact Mass432.18
IUPAC Name2-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-N-(1-ethylpyrazol-4-yl)acetamide
SMILESCCn1cc(NC(=O)Cc2ccc(Oc3ccnc4cc(OC)c(OC)cc34)cc2)cn1
InChIInChI=1S/C24H24N4O4/c1-4-28-15-17(14-26-28)27-24(29)11-16-5-7-18(8-6-16)32-21-9-10-25-20-13-23(31-3)22(30-2)12-19(20)21/h5-10,12-15H,4,11H2,1-3H3,(H,27,29)
InChIKeyMMCWBZCSGNCOMQ-UHFFFAOYSA-N
XLogP4.44
TPSA87.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-N-(1-ethylpyrazol-4-yl)acetamide?
The IUPAC name of 2-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-N-(1-ethylpyrazol-4-yl)acetamide (CID 57401808) is 2-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-N-(1-ethylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-N-(1-ethylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-N-(1-ethylpyrazol-4-yl)acetamide is CCn1cc(NC(=O)Cc2ccc(Oc3ccnc4cc(OC)c(OC)cc34)cc2)cn1.
What is the InChIKey of 2-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-N-(1-ethylpyrazol-4-yl)acetamide?
The InChIKey is MMCWBZCSGNCOMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O4/c1-4-28-15-17(14-26-28)27-24(29)11-16-5-7-18(8-6-16)32-21-9-10-25-20-13-23(31-3)22(30-2)12-19(20)21/h5-10,12-15H,4,11H2,1-3H3,(H,27,29).
What are the key properties of 2-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-N-(1-ethylpyrazol-4-yl)acetamide?
2-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-N-(1-ethylpyrazol-4-yl)acetamide has a molecular weight of 432.48 g/mol, XLogP of 4.44, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-N-(1-ethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 57401808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).