2-(4-chloro-3-methylphenoxy)-N-[2-(4,8-dimethylquinolin-2-yl)-5-methylpyrazol-3-yl]acetamide

C24H23ClN4O2 — CID 108769694

IUPAC2-(4-chloro-3-methylphenoxy)-N-[2-(4,8-dimethylquinolin-2-yl)-5-methylpyrazol-3-yl]acetamide
SMILESCc1cc(NC(=O)COc2ccc(Cl)c(C)c2)n(-c2cc(C)c3cccc(C)c3n2)n1
InChIInChI=1S/C24H23ClN4O2/c1-14-6-5-7-19-15(2)11-21(27-24(14)19)29-22(12-17(4)28-29)26-23(30)13-31-18-8-9-20(25)16(3)10-18/h5-12H,13H2,1-4H3,(H,26,30)
InChIKeyLSAXPLGQBCTZDC-UHFFFAOYSA-N
MW434.93 g/mol
LogP5.33
Rot. Bonds5

About 2-(4-chloro-3-methylphenoxy)-N-[2-(4,8-dimethylquinolin-2-yl)-5-methylpyrazol-3-yl]acetamide

2-(4-chloro-3-methylphenoxy)-N-[2-(4,8-dimethylquinolin-2-yl)-5-methylpyrazol-3-yl]acetamide (PubChem CID 108769694) has the molecular formula C24H23ClN4O2 and a molecular weight of 434.93 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenoxy)-N-[2-(4,8-dimethylquinolin-2-yl)-5-methylpyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenoxy)-N-[2-(4,8-dimethylquinolin-2-yl)-5-methylpyrazol-3-yl]acetamide
PubChem CID108769694
Molecular FormulaC24H23ClN4O2
Molecular Weight434.93 g/mol
Exact Mass434.15
IUPAC Name2-(4-chloro-3-methylphenoxy)-N-[2-(4,8-dimethylquinolin-2-yl)-5-methylpyrazol-3-yl]acetamide
SMILESCc1cc(NC(=O)COc2ccc(Cl)c(C)c2)n(-c2cc(C)c3cccc(C)c3n2)n1
InChIInChI=1S/C24H23ClN4O2/c1-14-6-5-7-19-15(2)11-21(27-24(14)19)29-22(12-17(4)28-29)26-23(30)13-31-18-8-9-20(25)16(3)10-18/h5-12H,13H2,1-4H3,(H,26,30)
InChIKeyLSAXPLGQBCTZDC-UHFFFAOYSA-N
XLogP5.33
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.93
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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
N-[2-(4,8-dimethylquinolin-2-yl)-5-methylpyrazol-3-yl]-4-(4-ethylphenoxy)butanamide
CID 108769710
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]-2-(2-prop-2-enoxyphenoxy)acetamide
CID 108769239
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
N-(2-amino-6-methylphenyl)-2-(4-chloro-3-methylphenoxy)acetamide
CID 43376738
2-(4-chloro-3-methylphenoxy)-N-(2-hydroxynaphthalen-1-yl)acetamide
CID 8797487
N-[2-(4,8-dimethylquinolin-2-yl)-5-methylpyrazol-3-yl]-2-(2-propan-2-ylphenoxy)propanamide
CID 108769696
2-(4-chloro-3-methylphenoxy)-N'-[2-(4-chloro-3-methylphenoxy)acetyl]acetohydrazide
CID 3554706
2-(4-chloro-3-methylphenoxy)-N-(6-chloro-2-phenylbenzotriazol-5-yl)acetamide
CID 1292982
4-(4-chloro-3-methylphenoxy)-N-(2,5-dimethylpyrazol-3-yl)butanamide
CID 51307640

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-[2-(4,8-dimethylquinolin-2-yl)-5-methylpyrazol-3-yl]acetamide?
The IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-[2-(4,8-dimethylquinolin-2-yl)-5-methylpyrazol-3-yl]acetamide (CID 108769694) is 2-(4-chloro-3-methylphenoxy)-N-[2-(4,8-dimethylquinolin-2-yl)-5-methylpyrazol-3-yl]acetamide.
What is the SMILES notation for 2-(4-chloro-3-methylphenoxy)-N-[2-(4,8-dimethylquinolin-2-yl)-5-methylpyrazol-3-yl]acetamide?
The canonical SMILES for 2-(4-chloro-3-methylphenoxy)-N-[2-(4,8-dimethylquinolin-2-yl)-5-methylpyrazol-3-yl]acetamide is Cc1cc(NC(=O)COc2ccc(Cl)c(C)c2)n(-c2cc(C)c3cccc(C)c3n2)n1.
What is the InChIKey of 2-(4-chloro-3-methylphenoxy)-N-[2-(4,8-dimethylquinolin-2-yl)-5-methylpyrazol-3-yl]acetamide?
The InChIKey is LSAXPLGQBCTZDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN4O2/c1-14-6-5-7-19-15(2)11-21(27-24(14)19)29-22(12-17(4)28-29)26-23(30)13-31-18-8-9-20(25)16(3)10-18/h5-12H,13H2,1-4H3,(H,26,30).
What are the key properties of 2-(4-chloro-3-methylphenoxy)-N-[2-(4,8-dimethylquinolin-2-yl)-5-methylpyrazol-3-yl]acetamide?
2-(4-chloro-3-methylphenoxy)-N-[2-(4,8-dimethylquinolin-2-yl)-5-methylpyrazol-3-yl]acetamide has a molecular weight of 434.93 g/mol, XLogP of 5.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylphenoxy)-N-[2-(4,8-dimethylquinolin-2-yl)-5-methylpyrazol-3-yl]acetamide is sourced from PubChem (CID 108769694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).