N-(1-ethylpyrazol-4-yl)-2-[2-methoxy-4-(6-methoxyquinolin-4-yl)oxyphenyl]acetamide

C24H24N4O4 — CID 70681395

IUPACN-(1-ethylpyrazol-4-yl)-2-[2-methoxy-4-(6-methoxyquinolin-4-yl)oxyphenyl]acetamide
SMILESCCn1cc(NC(=O)Cc2ccc(Oc3ccnc4ccc(OC)cc34)cc2OC)cn1
InChIInChI=1S/C24H24N4O4/c1-4-28-15-17(14-26-28)27-24(29)11-16-5-6-19(13-23(16)31-3)32-22-9-10-25-21-8-7-18(30-2)12-20(21)22/h5-10,12-15H,4,11H2,1-3H3,(H,27,29)
InChIKeyNSTFTWHSPRGGFB-UHFFFAOYSA-N
MW432.48 g/mol
LogP4.44
Rot. Bonds8

About N-(1-ethylpyrazol-4-yl)-2-[2-methoxy-4-(6-methoxyquinolin-4-yl)oxyphenyl]acetamide

N-(1-ethylpyrazol-4-yl)-2-[2-methoxy-4-(6-methoxyquinolin-4-yl)oxyphenyl]acetamide (PubChem CID 70681395) has the molecular formula C24H24N4O4 and a molecular weight of 432.48 g/mol. Its IUPAC name is N-(1-ethylpyrazol-4-yl)-2-[2-methoxy-4-(6-methoxyquinolin-4-yl)oxyphenyl]acetamide.

Molecular Properties

Compound NameN-(1-ethylpyrazol-4-yl)-2-[2-methoxy-4-(6-methoxyquinolin-4-yl)oxyphenyl]acetamide
PubChem CID70681395
Molecular FormulaC24H24N4O4
Molecular Weight432.48 g/mol
Exact Mass432.18
IUPAC NameN-(1-ethylpyrazol-4-yl)-2-[2-methoxy-4-(6-methoxyquinolin-4-yl)oxyphenyl]acetamide
SMILESCCn1cc(NC(=O)Cc2ccc(Oc3ccnc4ccc(OC)cc34)cc2OC)cn1
InChIInChI=1S/C24H24N4O4/c1-4-28-15-17(14-26-28)27-24(29)11-16-5-6-19(13-23(16)31-3)32-22-9-10-25-21-8-7-18(30-2)12-20(21)22/h5-10,12-15H,4,11H2,1-3H3,(H,27,29)
InChIKeyNSTFTWHSPRGGFB-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 N-(1-ethylpyrazol-4-yl)-2-[2-methoxy-4-(6-methoxyquinolin-4-yl)oxyphenyl]acetamide?
The IUPAC name of N-(1-ethylpyrazol-4-yl)-2-[2-methoxy-4-(6-methoxyquinolin-4-yl)oxyphenyl]acetamide (CID 70681395) is N-(1-ethylpyrazol-4-yl)-2-[2-methoxy-4-(6-methoxyquinolin-4-yl)oxyphenyl]acetamide.
What is the SMILES notation for N-(1-ethylpyrazol-4-yl)-2-[2-methoxy-4-(6-methoxyquinolin-4-yl)oxyphenyl]acetamide?
The canonical SMILES for N-(1-ethylpyrazol-4-yl)-2-[2-methoxy-4-(6-methoxyquinolin-4-yl)oxyphenyl]acetamide is CCn1cc(NC(=O)Cc2ccc(Oc3ccnc4ccc(OC)cc34)cc2OC)cn1.
What is the InChIKey of N-(1-ethylpyrazol-4-yl)-2-[2-methoxy-4-(6-methoxyquinolin-4-yl)oxyphenyl]acetamide?
The InChIKey is NSTFTWHSPRGGFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O4/c1-4-28-15-17(14-26-28)27-24(29)11-16-5-6-19(13-23(16)31-3)32-22-9-10-25-21-8-7-18(30-2)12-20(21)22/h5-10,12-15H,4,11H2,1-3H3,(H,27,29).
What are the key properties of N-(1-ethylpyrazol-4-yl)-2-[2-methoxy-4-(6-methoxyquinolin-4-yl)oxyphenyl]acetamide?
N-(1-ethylpyrazol-4-yl)-2-[2-methoxy-4-(6-methoxyquinolin-4-yl)oxyphenyl]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 N-(1-ethylpyrazol-4-yl)-2-[2-methoxy-4-(6-methoxyquinolin-4-yl)oxyphenyl]acetamide is sourced from PubChem (CID 70681395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).