2-[2-methoxy-4-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(1-methylpyrazol-4-yl)acetamide

C23H22N4O4 — CID 16730092

IUPAC2-[2-methoxy-4-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(1-methylpyrazol-4-yl)acetamide
SMILESCOc1ccc2c(Oc3ccc(CC(=O)Nc4cnn(C)c4)c(OC)c3)ccnc2c1
InChIInChI=1S/C23H22N4O4/c1-27-14-16(13-25-27)26-23(28)10-15-4-5-18(12-22(15)30-3)31-21-8-9-24-20-11-17(29-2)6-7-19(20)21/h4-9,11-14H,10H2,1-3H3,(H,26,28)
InChIKeyMUWXXFVRGSATHH-UHFFFAOYSA-N
MW418.45 g/mol
LogP3.96
Rot. Bonds7

About 2-[2-methoxy-4-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(1-methylpyrazol-4-yl)acetamide

2-[2-methoxy-4-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(1-methylpyrazol-4-yl)acetamide (PubChem CID 16730092) has the molecular formula C23H22N4O4 and a molecular weight of 418.45 g/mol. Its IUPAC name is 2-[2-methoxy-4-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(1-methylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-[2-methoxy-4-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(1-methylpyrazol-4-yl)acetamide
PubChem CID16730092
Molecular FormulaC23H22N4O4
Molecular Weight418.45 g/mol
Exact Mass418.16
IUPAC Name2-[2-methoxy-4-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(1-methylpyrazol-4-yl)acetamide
SMILESCOc1ccc2c(Oc3ccc(CC(=O)Nc4cnn(C)c4)c(OC)c3)ccnc2c1
InChIInChI=1S/C23H22N4O4/c1-27-14-16(13-25-27)26-23(28)10-15-4-5-18(12-22(15)30-3)31-21-8-9-24-20-11-17(29-2)6-7-19(20)21/h4-9,11-14H,10H2,1-3H3,(H,26,28)
InChIKeyMUWXXFVRGSATHH-UHFFFAOYSA-N
XLogP3.96
TPSA87.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-4-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(1-methylpyrazol-4-yl)acetamide?
The IUPAC name of 2-[2-methoxy-4-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(1-methylpyrazol-4-yl)acetamide (CID 16730092) is 2-[2-methoxy-4-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(1-methylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-[2-methoxy-4-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(1-methylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-[2-methoxy-4-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(1-methylpyrazol-4-yl)acetamide is COc1ccc2c(Oc3ccc(CC(=O)Nc4cnn(C)c4)c(OC)c3)ccnc2c1.
What is the InChIKey of 2-[2-methoxy-4-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(1-methylpyrazol-4-yl)acetamide?
The InChIKey is MUWXXFVRGSATHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O4/c1-27-14-16(13-25-27)26-23(28)10-15-4-5-18(12-22(15)30-3)31-21-8-9-24-20-11-17(29-2)6-7-19(20)21/h4-9,11-14H,10H2,1-3H3,(H,26,28).
What are the key properties of 2-[2-methoxy-4-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(1-methylpyrazol-4-yl)acetamide?
2-[2-methoxy-4-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(1-methylpyrazol-4-yl)acetamide has a molecular weight of 418.45 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-4-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(1-methylpyrazol-4-yl)acetamide is sourced from PubChem (CID 16730092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).