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

C23H20Cl2N4O3 — CID 108769235

IUPAC2-(2,5-dichlorophenoxy)-N-[2-(8-methoxy-4-methylquinolin-2-yl)-5-methylpyrazol-3-yl]acetamide
SMILESCOc1cccc2c(C)cc(-n3nc(C)cc3NC(=O)COc3cc(Cl)ccc3Cl)nc12
InChIInChI=1S/C23H20Cl2N4O3/c1-13-9-20(27-23-16(13)5-4-6-18(23)31-3)29-21(10-14(2)28-29)26-22(30)12-32-19-11-15(24)7-8-17(19)25/h4-11H,12H2,1-3H3,(H,26,30)
InChIKeyFLDPMCVDRKYAPO-UHFFFAOYSA-N
MW471.34 g/mol
LogP5.37
Rot. Bonds6

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

2-(2,5-dichlorophenoxy)-N-[2-(8-methoxy-4-methylquinolin-2-yl)-5-methylpyrazol-3-yl]acetamide (PubChem CID 108769235) has the molecular formula C23H20Cl2N4O3 and a molecular weight of 471.34 g/mol. Its IUPAC name is 2-(2,5-dichlorophenoxy)-N-[2-(8-methoxy-4-methylquinolin-2-yl)-5-methylpyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(2,5-dichlorophenoxy)-N-[2-(8-methoxy-4-methylquinolin-2-yl)-5-methylpyrazol-3-yl]acetamide
PubChem CID108769235
Molecular FormulaC23H20Cl2N4O3
Molecular Weight471.34 g/mol
Exact Mass470.09
IUPAC Name2-(2,5-dichlorophenoxy)-N-[2-(8-methoxy-4-methylquinolin-2-yl)-5-methylpyrazol-3-yl]acetamide
SMILESCOc1cccc2c(C)cc(-n3nc(C)cc3NC(=O)COc3cc(Cl)ccc3Cl)nc12
InChIInChI=1S/C23H20Cl2N4O3/c1-13-9-20(27-23-16(13)5-4-6-18(23)31-3)29-21(10-14(2)28-29)26-22(30)12-32-19-11-15(24)7-8-17(19)25/h4-11H,12H2,1-3H3,(H,26,30)
InChIKeyFLDPMCVDRKYAPO-UHFFFAOYSA-N
XLogP5.37
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.34
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(8-methoxy-4-methylquinolin-2-yl)-5-methylpyrazol-3-yl]-2-(2-prop-2-enoxyphenoxy)acetamide
CID 108769239
4-(4-chlorophenoxy)-N-[2-(8-methoxy-4-methylquinolin-2-yl)-5-methylpyrazol-3-yl]butanamide
CID 108769248
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
2-(4-chloro-3-methylphenoxy)-N-[2-(4,8-dimethylquinolin-2-yl)-5-methylpyrazol-3-yl]acetamide
CID 108769694
N-[2-(8-methoxy-4-methylquinolin-2-yl)-5-methylpyrazol-3-yl]-5-methylfuran-2-carboxamide
CID 108747115
4-(5-chloro-2-methoxyphenyl)-N-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]-4-oxobutanamide
CID 108746925
2-(2,5-dichlorophenoxy)-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]acetamide
CID 55502673
1-(3-chlorophenyl)-N-[2-(8-methoxy-4-methylquinolin-2-yl)-5-methylpyrazol-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 108779030
2,4-dichloro-N-[2-[[5-methyl-2-(4-methylquinolin-2-yl)pyrazol-3-yl]amino]-2-oxoethyl]benzamide
CID 108769282
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
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 2-(2,5-dichlorophenoxy)-N-[2-(8-methoxy-4-methylquinolin-2-yl)-5-methylpyrazol-3-yl]acetamide?
The IUPAC name of 2-(2,5-dichlorophenoxy)-N-[2-(8-methoxy-4-methylquinolin-2-yl)-5-methylpyrazol-3-yl]acetamide (CID 108769235) is 2-(2,5-dichlorophenoxy)-N-[2-(8-methoxy-4-methylquinolin-2-yl)-5-methylpyrazol-3-yl]acetamide.
What is the SMILES notation for 2-(2,5-dichlorophenoxy)-N-[2-(8-methoxy-4-methylquinolin-2-yl)-5-methylpyrazol-3-yl]acetamide?
The canonical SMILES for 2-(2,5-dichlorophenoxy)-N-[2-(8-methoxy-4-methylquinolin-2-yl)-5-methylpyrazol-3-yl]acetamide is COc1cccc2c(C)cc(-n3nc(C)cc3NC(=O)COc3cc(Cl)ccc3Cl)nc12.
What is the InChIKey of 2-(2,5-dichlorophenoxy)-N-[2-(8-methoxy-4-methylquinolin-2-yl)-5-methylpyrazol-3-yl]acetamide?
The InChIKey is FLDPMCVDRKYAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20Cl2N4O3/c1-13-9-20(27-23-16(13)5-4-6-18(23)31-3)29-21(10-14(2)28-29)26-22(30)12-32-19-11-15(24)7-8-17(19)25/h4-11H,12H2,1-3H3,(H,26,30).
What are the key properties of 2-(2,5-dichlorophenoxy)-N-[2-(8-methoxy-4-methylquinolin-2-yl)-5-methylpyrazol-3-yl]acetamide?
2-(2,5-dichlorophenoxy)-N-[2-(8-methoxy-4-methylquinolin-2-yl)-5-methylpyrazol-3-yl]acetamide has a molecular weight of 471.34 g/mol, XLogP of 5.37, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenoxy)-N-[2-(8-methoxy-4-methylquinolin-2-yl)-5-methylpyrazol-3-yl]acetamide is sourced from PubChem (CID 108769235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).