methyl 4-[[2-(8-methoxy-4-methylquinolin-2-yl)-5-methylpyrazol-3-yl]amino]-4-oxobutanoate

C20H22N4O4 — CID 108747124

IUPACmethyl 4-[[2-(8-methoxy-4-methylquinolin-2-yl)-5-methylpyrazol-3-yl]amino]-4-oxobutanoate
SMILESCOC(=O)CCC(=O)Nc1cc(C)nn1-c1cc(C)c2cccc(OC)c2n1
InChIInChI=1S/C20H22N4O4/c1-12-10-16(22-20-14(12)6-5-7-15(20)27-3)24-17(11-13(2)23-24)21-18(25)8-9-19(26)28-4/h5-7,10-11H,8-9H2,1-4H3,(H,21,25)
InChIKeyKQXUYXPHYPJTSD-UHFFFAOYSA-N
MW382.42 g/mol
LogP2.94
Rot. Bonds6

About methyl 4-[[2-(8-methoxy-4-methylquinolin-2-yl)-5-methylpyrazol-3-yl]amino]-4-oxobutanoate

methyl 4-[[2-(8-methoxy-4-methylquinolin-2-yl)-5-methylpyrazol-3-yl]amino]-4-oxobutanoate (PubChem CID 108747124) has the molecular formula C20H22N4O4 and a molecular weight of 382.42 g/mol. Its IUPAC name is methyl 4-[[2-(8-methoxy-4-methylquinolin-2-yl)-5-methylpyrazol-3-yl]amino]-4-oxobutanoate.

Molecular Properties

Compound Namemethyl 4-[[2-(8-methoxy-4-methylquinolin-2-yl)-5-methylpyrazol-3-yl]amino]-4-oxobutanoate
PubChem CID108747124
Molecular FormulaC20H22N4O4
Molecular Weight382.42 g/mol
Exact Mass382.16
IUPAC Namemethyl 4-[[2-(8-methoxy-4-methylquinolin-2-yl)-5-methylpyrazol-3-yl]amino]-4-oxobutanoate
SMILESCOC(=O)CCC(=O)Nc1cc(C)nn1-c1cc(C)c2cccc(OC)c2n1
InChIInChI=1S/C20H22N4O4/c1-12-10-16(22-20-14(12)6-5-7-15(20)27-3)24-17(11-13(2)23-24)21-18(25)8-9-19(26)28-4/h5-7,10-11H,8-9H2,1-4H3,(H,21,25)
InChIKeyKQXUYXPHYPJTSD-UHFFFAOYSA-N
XLogP2.94
TPSA95.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 4-[[2-(8-methoxy-4-methylquinolin-2-yl)-5-methylpyrazol-3-yl]amino]-4-oxobutanoate with MolForge

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Related Compounds

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
N-[2-(8-methoxy-4-methylquinolin-2-yl)-5-methylpyrazol-3-yl]-2-(2-prop-2-enoxyphenoxy)acetamide
CID 108769239
2-(2,5-dichlorophenoxy)-N-[2-(8-methoxy-4-methylquinolin-2-yl)-5-methylpyrazol-3-yl]acetamide
CID 108769235
4-(4-methoxyphenyl)-N-[5-methyl-2-(4-methylquinolin-2-yl)pyrazol-3-yl]-4-oxobutanamide
CID 108747214
N-[2-(4,8-dimethylquinolin-2-yl)-5-methylpyrazol-3-yl]-4-(4-ethylphenoxy)butanamide
CID 108769710
4-(5-chloro-2-methoxyphenyl)-N-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]-4-oxobutanamide
CID 108746925
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
2-(4-chloro-3-methylphenoxy)-N-[2-(4,8-dimethylquinolin-2-yl)-5-methylpyrazol-3-yl]acetamide
CID 108769694
N-[4-cyano-1-(8-methoxy-4-methylquinolin-2-yl)pyrazol-5-yl]-4-(4-methylphenyl)-4-oxobutanamide
CID 108747495
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 methyl 4-[[2-(8-methoxy-4-methylquinolin-2-yl)-5-methylpyrazol-3-yl]amino]-4-oxobutanoate?
The IUPAC name of methyl 4-[[2-(8-methoxy-4-methylquinolin-2-yl)-5-methylpyrazol-3-yl]amino]-4-oxobutanoate (CID 108747124) is methyl 4-[[2-(8-methoxy-4-methylquinolin-2-yl)-5-methylpyrazol-3-yl]amino]-4-oxobutanoate.
What is the SMILES notation for methyl 4-[[2-(8-methoxy-4-methylquinolin-2-yl)-5-methylpyrazol-3-yl]amino]-4-oxobutanoate?
The canonical SMILES for methyl 4-[[2-(8-methoxy-4-methylquinolin-2-yl)-5-methylpyrazol-3-yl]amino]-4-oxobutanoate is COC(=O)CCC(=O)Nc1cc(C)nn1-c1cc(C)c2cccc(OC)c2n1.
What is the InChIKey of methyl 4-[[2-(8-methoxy-4-methylquinolin-2-yl)-5-methylpyrazol-3-yl]amino]-4-oxobutanoate?
The InChIKey is KQXUYXPHYPJTSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4/c1-12-10-16(22-20-14(12)6-5-7-15(20)27-3)24-17(11-13(2)23-24)21-18(25)8-9-19(26)28-4/h5-7,10-11H,8-9H2,1-4H3,(H,21,25).
What are the key properties of methyl 4-[[2-(8-methoxy-4-methylquinolin-2-yl)-5-methylpyrazol-3-yl]amino]-4-oxobutanoate?
methyl 4-[[2-(8-methoxy-4-methylquinolin-2-yl)-5-methylpyrazol-3-yl]amino]-4-oxobutanoate has a molecular weight of 382.42 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-(8-methoxy-4-methylquinolin-2-yl)-5-methylpyrazol-3-yl]amino]-4-oxobutanoate is sourced from PubChem (CID 108747124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).