1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]ethanone

C20H22N6O — CID 133284170

IUPAC1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]ethanone
SMILESCc1cc(C)n(-c2cncc(NCC(=O)N3CCCc4ccccc43)n2)n1
InChIInChI=1S/C20H22N6O/c1-14-10-15(2)26(24-14)19-12-21-11-18(23-19)22-13-20(27)25-9-5-7-16-6-3-4-8-17(16)25/h3-4,6,8,10-12H,5,7,9,13H2,1-2H3,(H,22,23)
InChIKeyJSTBHSVDLQVWAN-UHFFFAOYSA-N
MW362.44 g/mol
LogP2.67
Rot. Bonds4

About 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]ethanone

1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]ethanone (PubChem CID 133284170) has the molecular formula C20H22N6O and a molecular weight of 362.44 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]ethanone.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]ethanone
PubChem CID133284170
Molecular FormulaC20H22N6O
Molecular Weight362.44 g/mol
Exact Mass362.19
IUPAC Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]ethanone
SMILESCc1cc(C)n(-c2cncc(NCC(=O)N3CCCc4ccccc43)n2)n1
InChIInChI=1S/C20H22N6O/c1-14-10-15(2)26(24-14)19-12-21-11-18(23-19)22-13-20(27)25-9-5-7-16-6-3-4-8-17(16)25/h3-4,6,8,10-12H,5,7,9,13H2,1-2H3,(H,22,23)
InChIKeyJSTBHSVDLQVWAN-UHFFFAOYSA-N
XLogP2.67
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2,3-dihydroindol-1-yl)-2-[(6-methylpyrazin-2-yl)amino]ethanone
CID 133469730
2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]acetic acid
CID 122047288
2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-one
CID 90517683
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]ethanone
CID 133273214
6-(3,5-dimethylpyrazol-1-yl)-N-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]pyrazin-2-amine
CID 99801713
1-[[3-[[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]methyl]phenyl]methyl]pyrrolidin-2-one
CID 133283076
2-(4-acetylanilino)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 9080074
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethanone
CID 39081516
2-(tert-butylamino)-1-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethanone
CID 78928291
2-(2-chloro-4,6-dimethylanilino)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 109007328
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2,5-dimethoxyanilino)ethanone
CID 54813893
6-(3,5-dimethylpyrazol-1-yl)-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]pyrazin-2-amine
CID 133284960

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]ethanone?
The IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]ethanone (CID 133284170) is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]ethanone.
What is the SMILES notation for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]ethanone?
The canonical SMILES for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]ethanone is Cc1cc(C)n(-c2cncc(NCC(=O)N3CCCc4ccccc43)n2)n1.
What is the InChIKey of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]ethanone?
The InChIKey is JSTBHSVDLQVWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O/c1-14-10-15(2)26(24-14)19-12-21-11-18(23-19)22-13-20(27)25-9-5-7-16-6-3-4-8-17(16)25/h3-4,6,8,10-12H,5,7,9,13H2,1-2H3,(H,22,23).
What are the key properties of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]ethanone?
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]ethanone has a molecular weight of 362.44 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]ethanone is sourced from PubChem (CID 133284170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).