N-(5-ethyl-1H-pyrazol-3-yl)-2-[2-methoxy-4-(7-methoxyquinolin-4-yl)oxyphenyl]acetamide

C24H24N4O4 — CID 70689816

IUPACN-(5-ethyl-1H-pyrazol-3-yl)-2-[2-methoxy-4-(7-methoxyquinolin-4-yl)oxyphenyl]acetamide
SMILESCCc1cc(NC(=O)Cc2ccc(Oc3ccnc4cc(OC)ccc34)cc2OC)n[nH]1
InChIInChI=1S/C24H24N4O4/c1-4-16-12-23(28-27-16)26-24(29)11-15-5-6-18(14-22(15)31-3)32-21-9-10-25-20-13-17(30-2)7-8-19(20)21/h5-10,12-14H,4,11H2,1-3H3,(H2,26,27,28,29)
InChIKeyOFGUFFNSCXNTNV-UHFFFAOYSA-N
MW432.48 g/mol
LogP4.51
Rot. Bonds8

About N-(5-ethyl-1H-pyrazol-3-yl)-2-[2-methoxy-4-(7-methoxyquinolin-4-yl)oxyphenyl]acetamide

N-(5-ethyl-1H-pyrazol-3-yl)-2-[2-methoxy-4-(7-methoxyquinolin-4-yl)oxyphenyl]acetamide (PubChem CID 70689816) has the molecular formula C24H24N4O4 and a molecular weight of 432.48 g/mol. Its IUPAC name is N-(5-ethyl-1H-pyrazol-3-yl)-2-[2-methoxy-4-(7-methoxyquinolin-4-yl)oxyphenyl]acetamide.

Molecular Properties

Compound NameN-(5-ethyl-1H-pyrazol-3-yl)-2-[2-methoxy-4-(7-methoxyquinolin-4-yl)oxyphenyl]acetamide
PubChem CID70689816
Molecular FormulaC24H24N4O4
Molecular Weight432.48 g/mol
Exact Mass432.18
IUPAC NameN-(5-ethyl-1H-pyrazol-3-yl)-2-[2-methoxy-4-(7-methoxyquinolin-4-yl)oxyphenyl]acetamide
SMILESCCc1cc(NC(=O)Cc2ccc(Oc3ccnc4cc(OC)ccc34)cc2OC)n[nH]1
InChIInChI=1S/C24H24N4O4/c1-4-16-12-23(28-27-16)26-24(29)11-15-5-6-18(14-22(15)31-3)32-21-9-10-25-20-13-17(30-2)7-8-19(20)21/h5-10,12-14H,4,11H2,1-3H3,(H2,26,27,28,29)
InChIKeyOFGUFFNSCXNTNV-UHFFFAOYSA-N
XLogP4.51
TPSA98.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1H-pyrazol-3-yl)-2-[2-methoxy-4-(7-methoxyquinolin-4-yl)oxyphenyl]acetamide?
The IUPAC name of N-(5-ethyl-1H-pyrazol-3-yl)-2-[2-methoxy-4-(7-methoxyquinolin-4-yl)oxyphenyl]acetamide (CID 70689816) is N-(5-ethyl-1H-pyrazol-3-yl)-2-[2-methoxy-4-(7-methoxyquinolin-4-yl)oxyphenyl]acetamide.
What is the SMILES notation for N-(5-ethyl-1H-pyrazol-3-yl)-2-[2-methoxy-4-(7-methoxyquinolin-4-yl)oxyphenyl]acetamide?
The canonical SMILES for N-(5-ethyl-1H-pyrazol-3-yl)-2-[2-methoxy-4-(7-methoxyquinolin-4-yl)oxyphenyl]acetamide is CCc1cc(NC(=O)Cc2ccc(Oc3ccnc4cc(OC)ccc34)cc2OC)n[nH]1.
What is the InChIKey of N-(5-ethyl-1H-pyrazol-3-yl)-2-[2-methoxy-4-(7-methoxyquinolin-4-yl)oxyphenyl]acetamide?
The InChIKey is OFGUFFNSCXNTNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O4/c1-4-16-12-23(28-27-16)26-24(29)11-15-5-6-18(14-22(15)31-3)32-21-9-10-25-20-13-17(30-2)7-8-19(20)21/h5-10,12-14H,4,11H2,1-3H3,(H2,26,27,28,29).
What are the key properties of N-(5-ethyl-1H-pyrazol-3-yl)-2-[2-methoxy-4-(7-methoxyquinolin-4-yl)oxyphenyl]acetamide?
N-(5-ethyl-1H-pyrazol-3-yl)-2-[2-methoxy-4-(7-methoxyquinolin-4-yl)oxyphenyl]acetamide has a molecular weight of 432.48 g/mol, XLogP of 4.51, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1H-pyrazol-3-yl)-2-[2-methoxy-4-(7-methoxyquinolin-4-yl)oxyphenyl]acetamide is sourced from PubChem (CID 70689816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).