N-[2-(8-methoxy-4-methylquinolin-2-yl)-5-methylpyrazol-3-yl]-2-(2-prop-2-enoxyphenoxy)acetamide

C26H26N4O4 — CID 108769239

IUPACN-[2-(8-methoxy-4-methylquinolin-2-yl)-5-methylpyrazol-3-yl]-2-(2-prop-2-enoxyphenoxy)acetamide
SMILESC=CCOc1ccccc1OCC(=O)Nc1cc(C)nn1-c1cc(C)c2cccc(OC)c2n1
InChIInChI=1S/C26H26N4O4/c1-5-13-33-20-10-6-7-11-21(20)34-16-25(31)27-24-15-18(3)29-30(24)23-14-17(2)19-9-8-12-22(32-4)26(19)28-23/h5-12,14-15H,1,13,16H2,2-4H3,(H,27,31)
InChIKeyHMCCXSXXZDNKKE-UHFFFAOYSA-N
MW458.52 g/mol
LogP4.63
Rot. Bonds9

About N-[2-(8-methoxy-4-methylquinolin-2-yl)-5-methylpyrazol-3-yl]-2-(2-prop-2-enoxyphenoxy)acetamide

N-[2-(8-methoxy-4-methylquinolin-2-yl)-5-methylpyrazol-3-yl]-2-(2-prop-2-enoxyphenoxy)acetamide (PubChem CID 108769239) has the molecular formula C26H26N4O4 and a molecular weight of 458.52 g/mol. Its IUPAC name is N-[2-(8-methoxy-4-methylquinolin-2-yl)-5-methylpyrazol-3-yl]-2-(2-prop-2-enoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(8-methoxy-4-methylquinolin-2-yl)-5-methylpyrazol-3-yl]-2-(2-prop-2-enoxyphenoxy)acetamide
PubChem CID108769239
Molecular FormulaC26H26N4O4
Molecular Weight458.52 g/mol
Exact Mass458.20
IUPAC NameN-[2-(8-methoxy-4-methylquinolin-2-yl)-5-methylpyrazol-3-yl]-2-(2-prop-2-enoxyphenoxy)acetamide
SMILESC=CCOc1ccccc1OCC(=O)Nc1cc(C)nn1-c1cc(C)c2cccc(OC)c2n1
InChIInChI=1S/C26H26N4O4/c1-5-13-33-20-10-6-7-11-21(20)34-16-25(31)27-24-15-18(3)29-30(24)23-14-17(2)19-9-8-12-22(32-4)26(19)28-23/h5-12,14-15H,1,13,16H2,2-4H3,(H,27,31)
InChIKeyHMCCXSXXZDNKKE-UHFFFAOYSA-N
XLogP4.63
TPSA87.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.52
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(2,5-dichlorophenoxy)-N-[2-(8-methoxy-4-methylquinolin-2-yl)-5-methylpyrazol-3-yl]acetamide
CID 108769235
methyl 4-[[2-(8-methoxy-4-methylquinolin-2-yl)-5-methylpyrazol-3-yl]amino]-4-oxobutanoate
CID 108747124
methyl N-[2-(8-methoxy-4-methylquinolin-2-yl)-5-methylpyrazol-3-yl]carbamate
CID 108747073
4-(4-chlorophenoxy)-N-[2-(8-methoxy-4-methylquinolin-2-yl)-5-methylpyrazol-3-yl]butanamide
CID 108769248
N-[2-(8-methoxy-4-methylquinolin-2-yl)-5-methylpyrazol-3-yl]-5-methylfuran-2-carboxamide
CID 108747115
2-(4-chloro-3-methylphenoxy)-N-[2-(4,8-dimethylquinolin-2-yl)-5-methylpyrazol-3-yl]acetamide
CID 108769694
N-[2-(4,8-dimethylquinolin-2-yl)-5-methylpyrazol-3-yl]-2-(2-propan-2-ylphenoxy)propanamide
CID 108769696
[2-[[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl] 3-methoxy-4-prop-2-enoxybenzoate
CID 33255183
N-[2-(4,8-dimethylquinolin-2-yl)-5-methylpyrazol-3-yl]-4-(4-ethylphenoxy)butanamide
CID 108769710
N-[2-(8-methoxy-4-methylquinolin-2-yl)-5-methylpyrazol-3-yl]-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
CID 108801057
ethyl 1-(4-methylquinolin-2-yl)-5-[[2-(2-prop-2-enoxyphenoxy)acetyl]amino]pyrazole-4-carboxylate
CID 108769638
N-[2-(8-methoxy-4-methylquinolin-2-yl)-5-methylpyrazol-3-yl]-6-(4-methylphenyl)pyridazin-3-amine
CID 108779051

Frequently Asked Questions

What is the IUPAC name of N-[2-(8-methoxy-4-methylquinolin-2-yl)-5-methylpyrazol-3-yl]-2-(2-prop-2-enoxyphenoxy)acetamide?
The IUPAC name of N-[2-(8-methoxy-4-methylquinolin-2-yl)-5-methylpyrazol-3-yl]-2-(2-prop-2-enoxyphenoxy)acetamide (CID 108769239) is N-[2-(8-methoxy-4-methylquinolin-2-yl)-5-methylpyrazol-3-yl]-2-(2-prop-2-enoxyphenoxy)acetamide.
What is the SMILES notation for N-[2-(8-methoxy-4-methylquinolin-2-yl)-5-methylpyrazol-3-yl]-2-(2-prop-2-enoxyphenoxy)acetamide?
The canonical SMILES for N-[2-(8-methoxy-4-methylquinolin-2-yl)-5-methylpyrazol-3-yl]-2-(2-prop-2-enoxyphenoxy)acetamide is C=CCOc1ccccc1OCC(=O)Nc1cc(C)nn1-c1cc(C)c2cccc(OC)c2n1.
What is the InChIKey of N-[2-(8-methoxy-4-methylquinolin-2-yl)-5-methylpyrazol-3-yl]-2-(2-prop-2-enoxyphenoxy)acetamide?
The InChIKey is HMCCXSXXZDNKKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O4/c1-5-13-33-20-10-6-7-11-21(20)34-16-25(31)27-24-15-18(3)29-30(24)23-14-17(2)19-9-8-12-22(32-4)26(19)28-23/h5-12,14-15H,1,13,16H2,2-4H3,(H,27,31).
What are the key properties of N-[2-(8-methoxy-4-methylquinolin-2-yl)-5-methylpyrazol-3-yl]-2-(2-prop-2-enoxyphenoxy)acetamide?
N-[2-(8-methoxy-4-methylquinolin-2-yl)-5-methylpyrazol-3-yl]-2-(2-prop-2-enoxyphenoxy)acetamide has a molecular weight of 458.52 g/mol, XLogP of 4.63, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(8-methoxy-4-methylquinolin-2-yl)-5-methylpyrazol-3-yl]-2-(2-prop-2-enoxyphenoxy)acetamide is sourced from PubChem (CID 108769239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).