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

C24H24N4O4 — CID 24759094

IUPACN-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-methoxy-4-(7-methoxyquinolin-4-yl)oxyphenyl]acetamide
SMILESCOc1ccc2c(Oc3ccc(CC(=O)Nc4n[nH]c(C)c4C)c(OC)c3)ccnc2c1
InChIInChI=1S/C24H24N4O4/c1-14-15(2)27-28-24(14)26-23(29)11-16-5-6-18(13-22(16)31-4)32-21-9-10-25-20-12-17(30-3)7-8-19(20)21/h5-10,12-13H,11H2,1-4H3,(H2,26,27,28,29)
InChIKeyDBDUMMKYYKJJID-UHFFFAOYSA-N
MW432.48 g/mol
LogP4.57
Rot. Bonds7

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

N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-methoxy-4-(7-methoxyquinolin-4-yl)oxyphenyl]acetamide (PubChem CID 24759094) has the molecular formula C24H24N4O4 and a molecular weight of 432.48 g/mol. Its IUPAC name is N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-methoxy-4-(7-methoxyquinolin-4-yl)oxyphenyl]acetamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-methoxy-4-(7-methoxyquinolin-4-yl)oxyphenyl]acetamide
PubChem CID24759094
Molecular FormulaC24H24N4O4
Molecular Weight432.48 g/mol
Exact Mass432.18
IUPAC NameN-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-methoxy-4-(7-methoxyquinolin-4-yl)oxyphenyl]acetamide
SMILESCOc1ccc2c(Oc3ccc(CC(=O)Nc4n[nH]c(C)c4C)c(OC)c3)ccnc2c1
InChIInChI=1S/C24H24N4O4/c1-14-15(2)27-28-24(14)26-23(29)11-16-5-6-18(13-22(16)31-4)32-21-9-10-25-20-12-17(30-3)7-8-19(20)21/h5-10,12-13H,11H2,1-4H3,(H2,26,27,28,29)
InChIKeyDBDUMMKYYKJJID-UHFFFAOYSA-N
XLogP4.57
TPSA98.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-methoxy-4-(7-methoxyquinolin-4-yl)oxyphenyl]acetamide?
The IUPAC name of N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-methoxy-4-(7-methoxyquinolin-4-yl)oxyphenyl]acetamide (CID 24759094) is N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-methoxy-4-(7-methoxyquinolin-4-yl)oxyphenyl]acetamide.
What is the SMILES notation for N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-methoxy-4-(7-methoxyquinolin-4-yl)oxyphenyl]acetamide?
The canonical SMILES for N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-methoxy-4-(7-methoxyquinolin-4-yl)oxyphenyl]acetamide is COc1ccc2c(Oc3ccc(CC(=O)Nc4n[nH]c(C)c4C)c(OC)c3)ccnc2c1.
What is the InChIKey of N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-methoxy-4-(7-methoxyquinolin-4-yl)oxyphenyl]acetamide?
The InChIKey is DBDUMMKYYKJJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O4/c1-14-15(2)27-28-24(14)26-23(29)11-16-5-6-18(13-22(16)31-4)32-21-9-10-25-20-12-17(30-3)7-8-19(20)21/h5-10,12-13H,11H2,1-4H3,(H2,26,27,28,29).
What are the key properties of N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-methoxy-4-(7-methoxyquinolin-4-yl)oxyphenyl]acetamide?
N-(4,5-dimethyl-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 4.57, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-methoxy-4-(7-methoxyquinolin-4-yl)oxyphenyl]acetamide is sourced from PubChem (CID 24759094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).