2-ethyl-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]quinolin-4-amine

C20H26N4O — CID 133404990

IUPAC2-ethyl-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]quinolin-4-amine
SMILESCCc1cc(NCc2c(C)nn(CCOC)c2C)c2ccccc2n1
InChIInChI=1S/C20H26N4O/c1-5-16-12-20(17-8-6-7-9-19(17)22-16)21-13-18-14(2)23-24(15(18)3)10-11-25-4/h6-9,12H,5,10-11,13H2,1-4H3,(H,21,22)
InChIKeyUMDVOQKNDVNSFY-UHFFFAOYSA-N
MW338.46 g/mol
LogP3.87
Rot. Bonds7

About 2-ethyl-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]quinolin-4-amine

2-ethyl-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]quinolin-4-amine (PubChem CID 133404990) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is 2-ethyl-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]quinolin-4-amine.

Molecular Properties

Compound Name2-ethyl-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]quinolin-4-amine
PubChem CID133404990
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC Name2-ethyl-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]quinolin-4-amine
SMILESCCc1cc(NCc2c(C)nn(CCOC)c2C)c2ccccc2n1
InChIInChI=1S/C20H26N4O/c1-5-16-12-20(17-8-6-7-9-19(17)22-16)21-13-18-14(2)23-24(15(18)3)10-11-25-4/h6-9,12H,5,10-11,13H2,1-4H3,(H,21,22)
InChIKeyUMDVOQKNDVNSFY-UHFFFAOYSA-N
XLogP3.87
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-6-methylpyrimidin-4-amine
CID 133299000
2-cyclopropyl-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]pyrimidin-4-amine
CID 133299001
2-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methylamino]imidazo[1,2-a]pyridine-3-carbonitrile
CID 86787000
2-ethyl-N-[2-(4-methylpiperazin-1-yl)propyl]quinolin-4-amine
CID 133401112
2-ethyl-N-[2-(4-methylpyrazol-1-yl)ethyl]quinolin-4-amine
CID 133401471
N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-1,3-benzoxazol-2-amine
CID 86782863
1-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-methyl-3-(4-phenylbutan-2-yl)guanidine
CID 111171665
N-(2-ethylquinolin-4-yl)-2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 75508954
1-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-3-(2-methyl-4-phenylmethoxyphenyl)urea
CID 86967280
5-[(2-ethylquinolin-4-yl)amino]-4-methylpentan-2-ol
CID 133402239
2-[4-(3-methoxypropylamino)quinolin-2-yl]acetic acid
CID 110432706
1-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-methyl-3-(2-phenylsulfanylpropyl)guanidine;hydroiodide
CID 111676827

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]quinolin-4-amine?
The IUPAC name of 2-ethyl-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]quinolin-4-amine (CID 133404990) is 2-ethyl-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]quinolin-4-amine.
What is the SMILES notation for 2-ethyl-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]quinolin-4-amine?
The canonical SMILES for 2-ethyl-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]quinolin-4-amine is CCc1cc(NCc2c(C)nn(CCOC)c2C)c2ccccc2n1.
What is the InChIKey of 2-ethyl-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]quinolin-4-amine?
The InChIKey is UMDVOQKNDVNSFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-5-16-12-20(17-8-6-7-9-19(17)22-16)21-13-18-14(2)23-24(15(18)3)10-11-25-4/h6-9,12H,5,10-11,13H2,1-4H3,(H,21,22).
What are the key properties of 2-ethyl-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]quinolin-4-amine?
2-ethyl-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]quinolin-4-amine has a molecular weight of 338.46 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]quinolin-4-amine is sourced from PubChem (CID 133404990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).